Geometry & MOs

Info

ID:	403478
PubChem CID:	135060477
Reduced:	SN3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	276.100643
ΔH_f, kcal/mol:	92.7
Dipole, Da:	3.22
IP(EA), eV:	-8.2(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,10bR)-5-tert-butyl-2,3,5,10b-tetrahydroindeno[1,2-e][1,4]dithiepine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)C=CN=C3NC4=CC=CS4

DOS

IR

Vibrations