Geometry & MOs

Info

ID:

114175

PubChem CID:

50473416

Reduced:

N5O5C39H43 (1)

Stoich.:

A5B5C39D43 (1)

Weight, g/mol:

661.32642

ΔHf, kcal/mol:

-139.84

Dipole, Da:

6.32

IP(EA), eV:

 -8.27(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5C)OC

DOS

IR

Vibrations