Geometry & MOs

Info

ID:	383690
PubChem CID:	134975553
Reduced:	NS3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	235.012556
ΔH_f, kcal/mol:	22.07
Dipole, Da:	5.42
IP(EA), eV:	-7.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-7-phenyl-2-oxa-1lambda4,8-dithia-3-azabicyclo[3.3.0]octa-1(5),3,6-triene

Drug info:

PubChemData

Smile

CC1=C(SS2=C1C=CN2C)SC

DOS

IR

Vibrations