Geometry & MOs

Info

ID:

108868

PubChem CID:

50262085

Reduced:

O5N6C35H40 (1)

Stoich.:

A5B6C35D40 (1)

Weight, g/mol:

704.312247

ΔHf, kcal/mol:

-159.36

Dipole, Da:

7.54

IP(EA), eV:

 -8.7(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)NC

DOS

IR

Vibrations