Geometry & MOs

Info

ID:

120073

PubChem CID:

50712674

Reduced:

Cl2O5N6C40H52 (1)

Stoich.:

A2B5C6D40E52 (1)

Weight, g/mol:

740.321974

ΔHf, kcal/mol:

-243.08

Dipole, Da:

6.98

IP(EA), eV:

 -8.81(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCCC2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)NC6CCCCC6

DOS

IR

Vibrations