Geometry & MOs

Info

ID:

117439

PubChem CID:

50603265

Reduced:

ClO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

637.22226

ΔHf, kcal/mol:

-130.19

Dipole, Da:

4.84

IP(EA), eV:

 -8.34(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-chlorobenzoyl)amino]phenyl]-1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC(=C4)C)Cl

DOS

IR

Vibrations