Geometry & MOs

Info

ID:	198992
PubChem CID:	79185423
Reduced:	BrO2N3S3H10C11 (1)
Stoich.:	AB2C3D3E10F11 (1)
Weight, g/mol:	328.12792
ΔH_f, kcal/mol:	0.14
Dipole, Da:	3.81
IP(EA), eV:	-8.98(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]phenyl]ethanethioamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=S)N)S(=O)(=O)NC2=NC=C(S2)Br

DOS

IR

Vibrations