Geometry & MOs

Info

ID:

115891

PubChem CID:

50537666

Reduced:

ClO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

706.243724

ΔHf, kcal/mol:

-176.94

Dipole, Da:

7.3

IP(EA), eV:

 -8.86(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-benzamido-4-chloroanilino)-2-oxoethyl]-1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC=C4C(=O)NC5=CC=CC=C5)C)Cl

DOS

IR

Vibrations