Geometry & MOs

Info

ID:	30745
PubChem CID:	841791
Reduced:	N2S2O3C13H14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-75.0
Dipole, Da:	7.59
IP(EA), eV:	-9.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpropoxy)benzoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CS2

DOS

IR

Vibrations