Geometry & MOs

Info

ID:

93849

PubChem CID:

49997184

Reduced:

O5N6C43H54 (1)

Stoich.:

A5B6C43D54 (1)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-199.29

Dipole, Da:

8.26

IP(EA), eV:

 -8.5(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(3-fluorobenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)NC(=O)C6=CC=C(C=C6)C

DOS

IR

Vibrations