Geometry & MOs

Info

ID:	243564
PubChem CID:	99226843
Reduced:	FSO2N3H18C21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	420.006148
ΔH_f, kcal/mol:	-51.22
Dipole, Da:	6.02
IP(EA), eV:	-8.65(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfonyl-5-nitro-N-[2-(trifluoromethylsulfanyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CN=C(S2)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations