Geometry & MOs

Info

ID:

110656

PubChem CID:

50334154

Reduced:

O5N6C34H44 (1)

Stoich.:

A5B6C34D44 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-191.05

Dipole, Da:

6.96

IP(EA), eV:

 -8.79(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4)C(=O)N5CCCC5

DOS

IR

Vibrations