Geometry & MOs

Info

ID:	302008
PubChem CID:	123109627
Reduced:	NSO4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	376.09806
ΔH_f, kcal/mol:	-123.8
Dipole, Da:	6.12
IP(EA), eV:	-8.82(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methoxycarbonylphenoxy)propylsulfinylmethyl]benzoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C)S(=O)CC2=CC(=CC=C2)C(=O)O

DOS

IR

Vibrations