Geometry & MOs

Info

ID:	40393
PubChem CID:	8144037
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	383.165406
ΔH_f, kcal/mol:	-64.76
Dipole, Da:	4.6
IP(EA), eV:	-8.55(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN(C)CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1

DOS

IR

Vibrations