Geometry & MOs

Info

ID:

95004

PubChem CID:

50005630

Reduced:

N6O6C35H42 (1)

Stoich.:

A6B6C35D42 (1)

Weight, g/mol:

642.316583

ΔHf, kcal/mol:

-203.19

Dipole, Da:

9.59

IP(EA), eV:

 -8.79(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-methoxy-3-[(4-methylbenzoyl)amino]anilino]-1-oxopropan-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(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4C)OC

DOS

IR

Vibrations