Geometry & MOs

Info

ID:	40079
PubChem CID:	8143534
Reduced:	ON2C22H22 (1)
Stoich.:	AB2C22D22 (1)
Weight, g/mol:	307.105114
ΔH_f, kcal/mol:	71.23
Dipole, Da:	3.39
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2)/C=C/C=C/C3=CC=CC=C3

DOS

IR

Vibrations