Geometry & MOs

Info

ID:

113714

PubChem CID:

50455788

Reduced:

O5N6C41H44 (1)

Stoich.:

A5B6C41D44 (1)

Weight, g/mol:

718.327897

ΔHf, kcal/mol:

-133.78

Dipole, Da:

10.13

IP(EA), eV:

 -8.69(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]-1-[1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations