Geometry & MOs

Info

ID:

116486

PubChem CID:

50562606

Reduced:

Cl2O5N6C37H48 (1)

Stoich.:

A2B5C6D37E48 (1)

Weight, g/mol:

732.376597

ΔHf, kcal/mol:

-244.14

Dipole, Da:

6.78

IP(EA), eV:

 -8.96(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)NC(=O)C2CCCCC2)Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations