Geometry & MOs

Info

ID:	41204
PubChem CID:	8145451
Reduced:	FS2N5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	400.148159
ΔH_f, kcal/mol:	66.65
Dipole, Da:	5.59
IP(EA), eV:	-8.33(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)tetrazole-5-thione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations