Geometry & MOs

Info

ID:	40921
PubChem CID:	8144958
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	-10.74
Dipole, Da:	3.11
IP(EA), eV:	-8.61(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[4-(2,4-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)N(N=N2)C3=C(C=CC(=C3)C)C

DOS

IR

Vibrations