Geometry & MOs

Info

ID:	165020
PubChem CID:	74486192
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	313.050302
ΔH_f, kcal/mol:	-1.29
Dipole, Da:	5.81
IP(EA), eV:	-10.24(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2CCCC2)[N+](=O)[O-]

DOS

IR

Vibrations