Geometry & MOs

Info

ID:	176669
PubChem CID:	76080595
Reduced:	SN3O3C24H35 (1)
Stoich.:	AB3C3D24E35 (1)
Weight, g/mol:	330.040465
ΔH_f, kcal/mol:	-109.76
Dipole, Da:	2.9
IP(EA), eV:	-8.61(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[[5-(2-hydroxyethyl)-4-methyl-1,1-bis(sulfanylidene)-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC2C(C(C1S2)CCCCNNC(=O)NC3=CC=CC=C3)CC=CCCCC(=O)O

DOS

IR

Vibrations