Geometry & MOs

Info

ID:	40374
PubChem CID:	8144010
Reduced:	N2O2C9H13 (2)
Stoich.:	A2B2C9D13 (2)
Weight, g/mol:	411.155138
ΔH_f, kcal/mol:	-126.78
Dipole, Da:	4.72
IP(EA), eV:	-8.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN(C)CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC

DOS

IR

Vibrations