Geometry & MOs

Info

ID:	40355
PubChem CID:	8143982
Reduced:	SO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	353.154841
ΔH_f, kcal/mol:	-18.19
Dipole, Da:	8.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.813970
Charge, e:	1

Chem-info

IUPAC name:

1-phenyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C[NH+](C)CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

DOS

IR

Vibrations