Geometry & MOs

Info

ID:

119653

PubChem CID:

50695282

Reduced:

Cl2N6O6C33H40 (1)

Stoich.:

A2B6C6D33E40 (1)

Weight, g/mol:

684.259374

ΔHf, kcal/mol:

-235.61

Dipole, Da:

13.56

IP(EA), eV:

 -9.15(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]-1-[1-[1-[2-chloro-5-(methylcarbamoyl)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)NC)Cl)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations