Geometry & MOs

Info

ID:

93235

PubChem CID:

49992638

Reduced:

ClO3N4C29H37 (1)

Stoich.:

AB3C4D29E37 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-132.28

Dipole, Da:

6.37

IP(EA), eV:

 -8.91(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations