Geometry & MOs

Info

ID:	343280
PubChem CID:	127266453
Reduced:	SN3O3H17C18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	400.047083
ΔH_f, kcal/mol:	43.77
Dipole, Da:	10.65
IP(EA), eV:	-8.64(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(benzylamino)-1-(5-chlorothiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate

Drug info:

PubChemData

Smile

CC1=C[N+](=CC=C1)/C(=C(/C2=CC(=CC=C2)[N+](=O)[O-])\[O-])/C(=S)NCC=C

DOS

IR

Vibrations