Geometry & MOs

Info

ID:

116105

PubChem CID:

50547317

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-183.98

Dipole, Da:

12.34

IP(EA), eV:

 -8.58(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-benzamidoanilino)-2-oxoethyl]-1-[1-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)C)Cl

DOS

IR

Vibrations