Geometry & MOs

Info

ID:	263220
PubChem CID:	103346984
Reduced:	ClN2O2S2C14H15 (1)
Stoich.:	AB2C2D2E14F15 (1)
Weight, g/mol:	271.052313
ΔH_f, kcal/mol:	1.87
Dipole, Da:	12.56
IP(EA), eV:	-8.67(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C2=N/C(=C\3/C=CC(=O)C(=C3)Cl)/ON2)C

DOS

IR

Vibrations