Geometry & MOs

Info

ID:

95448

PubChem CID:

50009368

Reduced:

N6O6C37H46 (1)

Stoich.:

A6B6C37D46 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-226.47

Dipole, Da:

4.27

IP(EA), eV:

 -8.44(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-chlorobenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations