Geometry & MOs

Info

ID:

111194

PubChem CID:

50356392

Reduced:

O5N6C39H54 (1)

Stoich.:

A5B6C39D54 (1)

Weight, g/mol:

625.22637

ΔHf, kcal/mol:

-227.89

Dipole, Da:

5.43

IP(EA), eV:

 -8.95(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-[1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations