Geometry & MOs

Info

ID:

115143

PubChem CID:

50511019

Reduced:

ClN6O6C32H43 (1)

Stoich.:

AB6C6D32E43 (1)

Weight, g/mol:

589.185875

ΔHf, kcal/mol:

-261.15

Dipole, Da:

8.27

IP(EA), eV:

 -8.73(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(5-chloro-2-methoxyphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations