Geometry & MOs

Info

ID:

116383

PubChem CID:

50558802

Reduced:

ClN6O6C34H47 (1)

Stoich.:

AB6C6D34E47 (1)

Weight, g/mol:

656.228074

ΔHf, kcal/mol:

-267.11

Dipole, Da:

9.61

IP(EA), eV:

 -8.64(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(methylcarbamoyl)phenyl]-1-[1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations