Geometry & MOs

Info

ID:

104427

PubChem CID:

50104258

Reduced:

O5N6C31H34 (1)

Stoich.:

A5B6C31D34 (1)

Weight, g/mol:

588.249646

ΔHf, kcal/mol:

-156.26

Dipole, Da:

5.91

IP(EA), eV:

 -8.85(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[3-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations