Geometry & MOs

Info

ID:	401288
PubChem CID:	135050824
Reduced:	NS2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	308.075012
ΔH_f, kcal/mol:	-43.79
Dipole, Da:	6.59
IP(EA), eV:	-8.43(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]thiazol-1-ium-1-yl)benzamide;chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(\C)/C2=CC=CC=C2SC

DOS

IR

Vibrations