Geometry & MOs

Info

ID:	50706
PubChem CID:	12013285
Reduced:	OS2C8H10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	322.077599
ΔH_f, kcal/mol:	-15.02
Dipole, Da:	1.31
IP(EA), eV:	-8.9(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfonyl-4-phenyl-5,7-diazatricyclo[6.5.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene

Drug info:

PubChemData

Smile

CC1(SCCS1)C2=CC=CO2

DOS

IR

Vibrations