Geometry & MOs

Info

ID:	288929
PubChem CID:	104328599
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	240.04563
ΔH_f, kcal/mol:	-75.52
Dipole, Da:	7.65
IP(EA), eV:	-8.74(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-2-oxoethyl)sulfanyl-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(C)CCSC)C(=O)O

DOS

IR

Vibrations