Geometry & MOs

Info

ID:	184261
PubChem CID:	77136600
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	382.136257
ΔH_f, kcal/mol:	-149.85
Dipole, Da:	7.68
IP(EA), eV:	-9.8(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1,1-dioxo-4a,5,6,7,8,8a-hexahydro-4,1lambda6,2-benzoxathiazin-3-yl)amino]-2-(4-fluorophenyl)ethyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

C1CCC2C(C1)OC(=NS2(=O)=O)NC(CCCO)C3=CC=CC=C3

DOS

IR

Vibrations