Geometry & MOs

Info

ID:

118998

PubChem CID:

50666902

Reduced:

ClO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

698.275024

ΔHf, kcal/mol:

-213.76

Dipole, Da:

8.11

IP(EA), eV:

 -8.87(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations