Geometry & MOs

Info

ID:	319851
PubChem CID:	126657403
Reduced:	INSO2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	376.95437
ΔH_f, kcal/mol:	-44.33
Dipole, Da:	3.82
IP(EA), eV:	-8.5(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-6-(6-bromothianthren-2-yl)-3-oxa-6-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CC/C=C\CC(N1CCOCC1)SC2=C(C=CC(=C2)I)O

DOS

IR

Vibrations