Geometry & MOs

Info

ID:

109084

PubChem CID:

50272000

Reduced:

O5N6C41H44 (1)

Stoich.:

A5B6C41D44 (1)

Weight, g/mol:

718.327897

ΔHf, kcal/mol:

-137.95

Dipole, Da:

11.07

IP(EA), eV:

 -8.71(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations