Geometry & MOs

Info

ID:	386827
PubChem CID:	134983061
Reduced:	SO2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	344.144616
ΔH_f, kcal/mol:	-45.94
Dipole, Da:	2.14
IP(EA), eV:	-8.19(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-methylsulfanyl-1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

CC1=C2CCC(C2=C(C=C1)SC)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations