Geometry & MOs

Info

ID:	27954
PubChem CID:	824323
Reduced:	ClNOC18H22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	307.033686
ΔH_f, kcal/mol:	-35.92
Dipole, Da:	1.65
IP(EA), eV:	-8.43(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(5-benzylidene-4-oxo-1,3-thiazol-2-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)N/C=C/2\[C@@H]3CC[C@](C2=O)(C3(C)C)C

DOS

IR

Vibrations