Geometry & MOs

Info

ID:	148033
PubChem CID:	53787695
Reduced:	NO6C23H25 (1)
Stoich.:	AB6C23D25 (1)
Weight, g/mol:	272.054087
ΔH_f, kcal/mol:	-160.54
Dipole, Da:	2.87
IP(EA), eV:	-8.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethylsulfanyl-3-hydroxypropyl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

CNC(=O)C(=CC1=CC=CC=C1)C(=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC

DOS

IR

Vibrations