Geometry & MOs

Info

ID:

120500

PubChem CID:

50730571

Reduced:

ClO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

653.14044

ΔHf, kcal/mol:

-132.17

Dipole, Da:

9.71

IP(EA), eV:

 -8.73(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propylcarbamoyl)phenyl]-1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations