Geometry & MOs

Info

ID:

114426

PubChem CID:

50482310

Reduced:

FCl2O4N5C31H32 (1)

Stoich.:

AB2C4D5E31F32 (1)

Weight, g/mol:

762.310803

ΔHf, kcal/mol:

-178.39

Dipole, Da:

5.28

IP(EA), eV:

 -9.08(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C(=CC=C3)Cl)Cl)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations