Geometry & MOs

Info

ID:	246856
PubChem CID:	103065162
Reduced:	NOSC5H7 (2)
Stoich.:	ABCD5E7 (2)
Weight, g/mol:	258.04967
ΔH_f, kcal/mol:	-69.7
Dipole, Da:	2.27
IP(EA), eV:	-8.88(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC2CCSC2)C(=O)OC

DOS

IR

Vibrations