Geometry & MOs

Info

ID:	41369
PubChem CID:	8145735
Reduced:	ClSN5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	415.123359
ΔH_f, kcal/mol:	80.9
Dipole, Da:	4.8
IP(EA), eV:	-8.44(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C=NN(C2=S)CN3CCN(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations