Geometry & MOs

Info

ID:	40389
PubChem CID:	8144032
Reduced:	SN4O4C17H24 (1)
Stoich.:	AB4C4D17E24 (1)
Weight, g/mol:	414.142228
ΔH_f, kcal/mol:	-154.67
Dipole, Da:	7.87
IP(EA), eV:	-9.0(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(4-methoxyanilino)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN(C)CC1=NC2=C(C(=C(S2)C(=O)OC)C)C(=O)N1

DOS

IR

Vibrations