Geometry & MOs

Info

ID:

104058

PubChem CID:

50087108

Reduced:

O5N6C42H52 (1)

Stoich.:

A5B6C42D52 (1)

Weight, g/mol:

736.318475

ΔHf, kcal/mol:

-187.53

Dipole, Da:

11.92

IP(EA), eV:

 -8.73(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2,5-difluorophenyl)carbamoyl]phenyl]-1-[1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6)C

DOS

IR

Vibrations