Geometry & MOs

Info

ID:

112806

PubChem CID:

50420978

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-228.44

Dipole, Da:

3.9

IP(EA), eV:

 -8.93(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(cyclohexylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)F)NC(=O)C(C)C

DOS

IR

Vibrations