Geometry & MOs

Info

ID:	40080
PubChem CID:	8143535
Reduced:	S2N4C14H19 (1)
Stoich.:	A2B4C14D19 (1)
Weight, g/mol:	321.120764
ΔH_f, kcal/mol:	98.52
Dipole, Da:	9.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.812546
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NN(C(=S)S2)C[NH+]3CCCC3

DOS

IR

Vibrations