Geometry & MOs

Info

ID:	139894
PubChem CID:	52613635
Reduced:	OSF3N7C20H22 (1)
Stoich.:	ABC3D7E20F22 (1)
Weight, g/mol:	475.194106
ΔH_f, kcal/mol:	-83.13
Dipole, Da:	6.01
IP(EA), eV:	-9.33(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-(diethylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NN=NN3C4CCCC4)C

DOS

IR

Vibrations