Geometry & MOs

Info

ID:	40386
PubChem CID:	8144025
Reduced:	O2S2N4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	413.134403
ΔH_f, kcal/mol:	-38.24
Dipole, Da:	1.97
IP(EA), eV:	-8.6(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN(C)CC1=NC2=C(C(=CS2)C3=CC=C(S3)C)C(=O)N1

DOS

IR

Vibrations