Geometry & MOs

Info

ID:

222972

PubChem CID:

85333598

Reduced:

SN2O11C40H44 (1)

Stoich.:

AB2C11D40E44 (1)

Weight, g/mol:

760.297885

ΔHf, kcal/mol:

-344.34

Dipole, Da:

6.78

IP(EA), eV:

 -7.79(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-amino-2-(2-amino-2-hydroxyiminoethoxy)iminoethoxy]imino-5-[4-[3-(2-amino-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]piperidin-1-yl]-3-phenylpentyl]-3,5-dichloro-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C3C4C(C5=C(C(=C6C(=C5C(N4C(C(C2)N3C)O)CO)OCO6)C)OC(=O)C)SCC(C(=O)C)OC(=O)C=CC7=CC=CC=C7)C(=C1OC)O

DOS

IR

Vibrations