Geometry & MOs

Info

ID:	174284
PubChem CID:	75748472
Reduced:	NS2O6H7C14 (1)
Stoich.:	AB2C6D7E14 (1)
Weight, g/mol:	453.149287
ΔH_f, kcal/mol:	-135.52
Dipole, Da:	3.82
IP(EA), eV:	-8.69(-2.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[(2,4-diphenyl-4,4a,5,6,7,8-hexahydrothiochromen-8a-yl)sulfanylmethyl]-4,5-dihydro-1,3-thiazol-3-ium-2-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1O)C3C(C(SC4=C3SC(=N4)[O-])C(=O)[O-])C(=O)O2

DOS

IR

Vibrations