Geometry & MOs

Info

ID:

116353

PubChem CID:

50557564

Reduced:

ClO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

619.15609

ΔHf, kcal/mol:

-168.55

Dipole, Da:

10.15

IP(EA), eV:

 -8.93(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propan-2-ylcarbamoyl)phenyl]-1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)N4CCC(CC4)C)C)Cl

DOS

IR

Vibrations