Geometry & MOs

Info

ID:	40077
PubChem CID:	8143531
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	321.120764
ΔH_f, kcal/mol:	29.82
Dipole, Da:	3.0
IP(EA), eV:	-8.72(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(2,3-dimethylanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N(C2=S)CN4CCCC4

DOS

IR

Vibrations