Geometry & MOs

Info

ID:	189978
PubChem CID:	77935855
Reduced:	F3N5O6H30C31 (1)
Stoich.:	A3B5C6D30E31 (1)
Weight, g/mol:	450.138006
ΔH_f, kcal/mol:	-193.08
Dipole, Da:	11.35
IP(EA), eV:	-8.58(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-cyclohexylsulfonyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

C1CN2C=C(N=C2OC1COC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=C(C=C5)OC6=CC=C(C=C6)OC(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations