Geometry & MOs

Info

ID:	41214
PubChem CID:	8145473
Reduced:	ON2S2H20C22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	398.168894
ΔH_f, kcal/mol:	48.15
Dipole, Da:	3.69
IP(EA), eV:	-8.62(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]tetrazole-5-thione

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1C(=O)NC[C@@H](C2=CC=CS2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations