Geometry & MOs

Info

ID:

111545

PubChem CID:

50371965

Reduced:

O5N6C39H48 (1)

Stoich.:

A5B6C39D48 (1)

Weight, g/mol:

653.25767

ΔHf, kcal/mol:

-191.82

Dipole, Da:

5.49

IP(EA), eV:

 -8.24(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCC5

DOS

IR

Vibrations