Geometry & MOs

Info

ID:	401385
PubChem CID:	135051120
Reduced:	ClNOSC9H9 (2)
Stoich.:	ABCDE9F9 (2)
Weight, g/mol:	194.06396
ΔH_f, kcal/mol:	-74.2
Dipole, Da:	8.28
IP(EA), eV:	-8.67(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-amino-6-methyl-2,3-dihydrothiochromen-1-ium-4-one

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(C=C(C=C1)Cl)SSC2=C(C=CC(=C2)Cl)C(=O)NCC

DOS

IR

Vibrations