Geometry & MOs

Info

ID:

111337

PubChem CID:

50362477

Reduced:

O4N5C33H43 (1)

Stoich.:

A4B5C33D43 (1)

Weight, g/mol:

597.251811

ΔHf, kcal/mol:

-166.31

Dipole, Da:

3.2

IP(EA), eV:

 -8.36(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5)C

DOS

IR

Vibrations