Geometry & MOs

Info

ID:

99935

PubChem CID:

50056372

Reduced:

BrO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-127.34

Dipole, Da:

3.55

IP(EA), eV:

 -8.68(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)Br)C

DOS

IR

Vibrations