Geometry & MOs

Info

ID:

103872

PubChem CID:

50077907

Reduced:

N5O5C37H39 (1)

Stoich.:

A5B5C37D39 (1)

Weight, g/mol:

672.282696

ΔHf, kcal/mol:

-120.09

Dipole, Da:

11.13

IP(EA), eV:

 -8.44(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations