Geometry & MOs

Info

ID:	160518
PubChem CID:	57309866
Reduced:	O3C6H8 (1)
Stoich.:	A3B6C8 (1)
Weight, g/mol:	301.026492
ΔH_f, kcal/mol:	-105.52
Dipole, Da:	4.6
IP(EA), eV:	-10.6(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophen-1-yl)] carbamothioate

Drug info:

PubChemData

Smile

COC(=O)C=CCC=O

DOS

IR

Vibrations