Geometry & MOs

Info

ID:	69310
PubChem CID:	46530638
Reduced:	FNSO2H9C11 (2)
Stoich.:	ABCD2E9F11 (2)
Weight, g/mol:	486.127229
ΔH_f, kcal/mol:	-155.08
Dipole, Da:	5.96
IP(EA), eV:	-8.45(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(difluoromethoxy)-4-methoxyanilino]-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4)OC)OC(F)F

DOS

IR

Vibrations