Geometry & MOs

Info

ID:

40102

PubChem CID:

8143565

Reduced:

OS2N4C14H19 (1)

Stoich.:

AB2C4D14E19 (1)

Weight, g/mol:

322.092204

ΔHf, kcal/mol:

68.55

Dipole, Da:

10.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.835997

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC2=NN(C(=S)S2)C[NH+]3CCCC3

DOS

IR

Vibrations