Geometry & MOs

Info

ID:

92516

PubChem CID:

49987487

Reduced:

Cl2O3N4C28H34 (1)

Stoich.:

A2B3C4D28E34 (1)

Weight, g/mol:

630.352969

ΔHf, kcal/mol:

-137.13

Dipole, Da:

8.12

IP(EA), eV:

 -8.86(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations