Geometry & MOs

Info

ID:

103036

PubChem CID:

50070346

Reduced:

N6O6C43H48 (1)

Stoich.:

A6B6C43D48 (1)

Weight, g/mol:

732.343547

ΔHf, kcal/mol:

-186.9

Dipole, Da:

6.81

IP(EA), eV:

 -8.21(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-fluorobenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC=C(C=C6)OC

DOS

IR

Vibrations