Geometry & MOs

Info

ID:	22166
PubChem CID:	596138
Reduced:	OS2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	316.095558
ΔH_f, kcal/mol:	-9.91
Dipole, Da:	2.04
IP(EA), eV:	-8.49(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine

Drug info:

PubChemData

Smile

CC1=CC2=C(CSC(SC2)C3=CC=C(C=C3)OC)C=C1C

DOS

IR

Vibrations