Geometry & MOs

Info

ID:

115056

PubChem CID:

50507087

Reduced:

ClN6O6C33H37 (1)

Stoich.:

AB6C6D33E37 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-203.23

Dipole, Da:

13.05

IP(EA), eV:

 -8.93(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-(dimethylcarbamoyl)-6-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)OC

DOS

IR

Vibrations