Geometry & MOs

Info

ID:	386659
PubChem CID:	134982453
Reduced:	SO3H20C23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	330.128966
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	4.95
IP(EA), eV:	-9.6(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)[C@@H]1[C@H]([C@@H](C2=CC=CC=C12)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations