Geometry & MOs

Info

ID:

442939

PubChem CID:

135257003

Reduced:

P3S3N11O18C54H71 (1)

Stoich.:

A3B3C11D18E54F71 (1)

Weight, g/mol:

465.010334

ΔHf, kcal/mol:

-764.21

Dipole, Da:

14.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.060893

Charge, e:

 0

Chem-info

IUPAC name:

[[(2S)-4-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CCN\1C2=C(C=C(C=C2)C)C(/C1=C/C=C/C=C/C3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)NCCSSCCC(=O)NCC#CC5=CN(C6=C5C(=O)N=C(N6)N)[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OCN=[N+]=[N-])(C)C

DOS

IR

Vibrations