Geometry & MOs

Info

ID:	284730
PubChem CID:	104065655
Reduced:	ClNSO2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	260.027393
ΔH_f, kcal/mol:	-47.05
Dipole, Da:	5.67
IP(EA), eV:	-9.59(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(3-methoxypropylsulfanyl)benzoic acid

Drug info:

PubChemData

Smile

CCC(C#N)SC1=CC(=C(C=C1)Cl)C(=O)O

DOS

IR

Vibrations