Geometry & MOs

Info

ID:	40113
PubChem CID:	8143584
Reduced:	OS2N4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	322.092204
ΔH_f, kcal/mol:	67.27
Dipole, Da:	9.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.826755
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCCC3

DOS

IR

Vibrations