Geometry & MOs

Info

ID:

92864

PubChem CID:

49990218

Reduced:

O5N6C43H54 (1)

Stoich.:

A5B6C43D54 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-203.23

Dipole, Da:

11.21

IP(EA), eV:

 -8.4(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)C

DOS

IR

Vibrations