Geometry & MOs

Info

ID:	208143
PubChem CID:	80500629
Reduced:	SN2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	251.098
ΔH_f, kcal/mol:	-32.84
Dipole, Da:	1.58
IP(EA), eV:	-8.47(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4,4-dimethyl-1,3-thiazolidin-2-yl)benzoate

Drug info:

PubChemData

Smile

CCN1CCCC2(CC1)NC(CS2)(C)C

DOS

IR

Vibrations