Geometry & MOs

Info

ID:	45773
PubChem CID:	10517473
Reduced:	OC6H8 (3)
Stoich.:	AB6C8 (3)
Weight, g/mol:	288.049001
ΔH_f, kcal/mol:	-120.23
Dipole, Da:	4.02
IP(EA), eV:	-9.47(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-methylsulfonyl-4-propan-2-ylsulfanylbenzoic acid

Drug info:

PubChemData

Smile

CC1CC[C@H]2[C@](C(=O)OCC1)(OC2(C)C)C3=CC=CC=C3

DOS

IR

Vibrations