Geometry & MOs

Info

ID:

320307

PubChem CID:

126659436

Reduced:

OCl2N3H13C15 (1)

Stoich.:

AB2C3D13E15 (1)

Weight, g/mol:

655.180831

ΔHf, kcal/mol:

41.95

Dipole, Da:

4.45

IP(EA), eV:

 -8.78(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[[(2R,3S,5R)-5-[5-[(Z)-3-[bis(aziridin-1-yl)phosphoryloxy]prop-1-enyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C/C=C(\NC1=CC=NC1=C)/NC(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations