Geometry & MOs

Info

ID:	177741
PubChem CID:	76222990
Reduced:	O2N3C9H13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	254.979063
ΔH_f, kcal/mol:	-61.4
Dipole, Da:	3.12
IP(EA), eV:	-9.15(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazole-5-sulfonyl chloride

Drug info:

PubChemData

Smile

COC(=O)C(CC1=C(N=CC=C1)N)N

DOS

IR

Vibrations