Geometry & MOs

Info

ID:	40087
PubChem CID:	8143545
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	335.136414
ΔH_f, kcal/mol:	-125.99
Dipole, Da:	6.19
IP(EA), eV:	-8.41(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)C1=CC(=C(C=C1)OC)OC)/CC(=O)N2CCCCC2

DOS

IR

Vibrations