Geometry & MOs

Info

ID:

102438

PubChem CID:

50067223

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

756.263852

ΔHf, kcal/mol:

-229.2

Dipole, Da:

13.85

IP(EA), eV:

 -8.89(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-benzamido-3-chlorophenyl)-1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NCC(C)C

DOS

IR

Vibrations