Geometry & MOs

Info

ID:	129261
PubChem CID:	51072087
Reduced:	NPS2O3C10H26 (1)
Stoich.:	ABC2D3E10F26 (1)
Weight, g/mol:	430.016568
ΔH_f, kcal/mol:	-266.32
Dipole, Da:	5.46
IP(EA), eV:	-8.43(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2,5-bis(methylsulfanyl)-4-(pyridin-1-ium-1-ylmethyl)thiophen-3-yl]methyl]pyridin-1-ium;dichloride

Drug info:

PubChemData

Smile

CC(C)OP(=S)(OC(C)C)[S-].C[NH+](C)CCO

DOS

IR

Vibrations