Geometry & MOs

Info

ID:

168564

PubChem CID:

74989511

Reduced:

PN8O14C30H37 (1)

Stoich.:

AB8C14D30E37 (1)

Weight, g/mol:

768.247985

ΔHf, kcal/mol:

-418.95

Dipole, Da:

13.99

IP(EA), eV:

 -9.42(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[2-[(2-amino-4-methyl-6-oxo-5H-pyrimidin-5-yl)-[[1-[4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxo-1,3-diazinan-5-yl]methyl]amino]ethyl-methylamino]benzoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1N(CCN(C)C2=CC=C(C=C2)C(=O)NC(CCC(=O)[O-])C(=O)[O-])CC3CN(C(=O)NC3=O)C4CC(C(O4)COP(=O)([O-])[O-])O)N

DOS

IR

Vibrations