Geometry & MOs

Info

ID:

112322

PubChem CID:

50402258

Reduced:

N5O5C32H37 (1)

Stoich.:

A5B5C32D37 (1)

Weight, g/mol:

575.254397

ΔHf, kcal/mol:

-161.94

Dipole, Da:

5.2

IP(EA), eV:

 -8.18(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC)OC

DOS

IR

Vibrations