Geometry & MOs

Info

ID:	169273
PubChem CID:	75083935
Reduced:	SN2O6C10H12 (1)
Stoich.:	AB2C6D10E12 (1)
Weight, g/mol:	373.03473
ΔH_f, kcal/mol:	-205.52
Dipole, Da:	2.31
IP(EA), eV:	-10.85(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3-(cyclohexylmethyl)-3,4-dihydro-2H-5,1lambda6,2-benzoxathiazepine 1,1-dioxide

Drug info:

PubChemData

Smile

CC1(C(N2C(S1(=O)=O)C(=CC(=O)N)C2=O)C(=O)O)C

DOS

IR

Vibrations