Geometry & MOs

Info

ID:	388118
PubChem CID:	134988224
Reduced:	ClNOSC10H12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	210.071451
ΔH_f, kcal/mol:	-41.21
Dipole, Da:	4.14
IP(EA), eV:	-9.27(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl 3-methyl-2-oxo-5-prop-1-en-2-ylcyclopent-3-ene-1-carbothioate

Drug info:

PubChemData

Smile

CC(C(C(=O)N)SC1=CC=CC=C1)Cl

DOS

IR

Vibrations