Geometry & MOs

Info

ID:

117435

PubChem CID:

50602921

Reduced:

Cl2O5N6C31H40 (1)

Stoich.:

A2B5C6D31E40 (1)

Weight, g/mol:

658.267046

ΔHf, kcal/mol:

-213.3

Dipole, Da:

0.51

IP(EA), eV:

 -8.51(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations