Geometry & MOs

Info

ID:

190776

PubChem CID:

78055227

Reduced:

N4O6C41H60 (1)

Stoich.:

A4B6C41D60 (1)

Weight, g/mol:

857.351328

ΔHf, kcal/mol:

-271.87

Dipole, Da:

14.75

IP(EA), eV:

 -8.6(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[5-[(4-nitroimidazol-1-yl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Drug info:

PubChemData

Smile

C1CC(C2C(C1C(CNCCCCCCCCCOC3=CC=CC(=C3)C(C4CN5CCC4CC5)N(C6=CC=CC=C6)C(=O)O)O)CCC(=O)N2)O

DOS

IR

Vibrations