Geometry & MOs

Info

ID:	220095
PubChem CID:	85165235
Reduced:	N2P2C19O19H30 (1)
Stoich.:	A2B2C19D19E30 (1)
Weight, g/mol:	652.091801
ΔH_f, kcal/mol:	-990.03
Dipole, Da:	3.24
IP(EA), eV:	-10.46(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[[4-acetyloxy-5-(2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

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

CC(=O)OC1C(OC(C(C1O)O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3CCC(=O)NC3=O)OC(=O)C)O)CO

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

CC(=O)OC1C(OC(C(C1O)O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3CCC(=O)NC3=O)OC(=O)C)O)CO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):