Geometry & MOs

Info

ID:	196979
PubChem CID:	78904498
Reduced:	OS2N5C21H31 (1)
Stoich.:	AB2C5D21E31 (1)
Weight, g/mol:	359.123838
ΔH_f, kcal/mol:	26.41
Dipole, Da:	4.99
IP(EA), eV:	-7.89(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[ethyl(2-phenylethyl)amino]methyl]-4-(thiophen-2-ylmethyl)tetrazole-5-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCCN(CC2)CN3C(=S)SC(=N3)NC4CCCCC4

DOS

IR

Vibrations