Geometry & MOs

Info

ID:	12175
PubChem CID:	131864
Reduced:	N3P3C17O17H22 (1)
Stoich.:	A3B3C17D17E22 (1)
Weight, g/mol:	633.016207
ΔH_f, kcal/mol:	-879.76
Dipole, Da:	5.6
IP(EA), eV:	-9.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)-hydroxymethyl]phosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=NC=C(C(=C1O)C=O)C(O)P(=O)(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)OP(=O)(O)OP(=O)(O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=NC=C(C(=C1O)C=O)C(O)P(=O)(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)OP(=O)(O)OP(=O)(O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):