Geometry & MOs

Info

ID:

110956

PubChem CID:

50345686

Reduced:

O5N6C31H40 (1)

Stoich.:

A5B6C31D40 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-199.11

Dipole, Da:

8.96

IP(EA), eV:

 -8.8(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)N)C

DOS

IR

Vibrations