Geometry & MOs

Info

ID:	185621
PubChem CID:	77321109
Reduced:	SN3O6C26H37 (1)
Stoich.:	AB3C6D26E37 (1)
Weight, g/mol:	249.97755
ΔH_f, kcal/mol:	-247.8
Dipole, Da:	7.12
IP(EA), eV:	-9.12(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,2,4]thiadiazin-3-one

Drug info:

PubChemData

Smile

CC(C)CN(C(CC1CCCO1)C(C(CC2=CC=CC=C2)NC(=O)O)O)S(=O)(=O)C3=CC=C(C=C3)N

DOS

IR

Vibrations