Geometry & MOs

Info

ID:	198991
PubChem CID:	79185334
Reduced:	NC12H23 (1)
Stoich.:	AB12C23 (1)
Weight, g/mol:	390.91185
ΔH_f, kcal/mol:	-3.73
Dipole, Da:	2.1
IP(EA), eV:	-8.72(1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]phenyl]ethanethioamide

Drug info:

PubChemData

Smile

CCCNC(CC(=C)C)C1CC1C

DOS

IR

Vibrations