Geometry & MOs

Info

ID:

112777

PubChem CID:

50419352

Reduced:

ClO4N5C32H44 (1)

Stoich.:

AB4C5D32E44 (1)

Weight, g/mol:

732.268331

ΔHf, kcal/mol:

-191.22

Dipole, Da:

6.36

IP(EA), eV:

 -8.8(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(2,5-difluorophenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]-1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)C)C

DOS

IR

Vibrations