Geometry & MOs

Info

ID:

98272

PubChem CID:

50042161

Reduced:

FO5N6C41H43 (1)

Stoich.:

AB5C6D41E43 (1)

Weight, g/mol:

720.282696

ΔHf, kcal/mol:

-187.29

Dipole, Da:

10.31

IP(EA), eV:

 -8.56(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(phenylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6=CC(=C(C=C6)C)F

DOS

IR

Vibrations