Geometry & MOs

Info

ID:	267035
PubChem CID:	103580501
Reduced:	NSO4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	292.994713
ΔH_f, kcal/mol:	-78.13
Dipole, Da:	2.01
IP(EA), eV:	-9.12(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-2-(oxolan-2-ylmethylsulfanyl)-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)SCC2CCCO2)[N+](=O)[O-]

DOS

IR

Vibrations