Geometry & MOs

Info

ID:	35287
PubChem CID:	7979632
Reduced:	FSN2O5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	389.086784
ΔH_f, kcal/mol:	-211.12
Dipole, Da:	5.58
IP(EA), eV:	-9.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=CC=C2F

DOS

IR

Vibrations