Geometry & MOs

Info

ID:

90116

PubChem CID:

49966557

Reduced:

N6O6C41H50 (1)

Stoich.:

A6B6C41D50 (1)

Weight, g/mol:

726.329646

ΔHf, kcal/mol:

-212.64

Dipole, Da:

11.13

IP(EA), eV:

 -8.54(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-chlorobenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC=C(C=C6)OC

DOS

IR

Vibrations