Geometry & MOs

Info

ID:	59279
PubChem CID:	24775873
Reduced:	PN3O10C21H26 (1)
Stoich.:	AB3C10D21E26 (1)
Weight, g/mol:	545.096609
ΔH_f, kcal/mol:	-437.94
Dipole, Da:	4.79
IP(EA), eV:	-9.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(4-chlorophenoxy)-[[(1S,3R,4S,7R)-7-hydroxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy]phosphoryl]amino]propanoate

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=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@H]([C@](O2)(CO3)COP(=O)(N[C@@H](C)C(=O)OC)OC4=CC=CC=C4)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=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@H]([C@](O2)(CO3)COP(=O)(N[C@@H](C)C(=O)OC)OC4=CC=CC=C4)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):