Geometry & MOs

Info

ID:	73818
PubChem CID:	48420524
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	367.110296
ΔH_f, kcal/mol:	36.9
Dipole, Da:	5.9
IP(EA), eV:	-9.62(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 2-(1-cyclopropyltetrazol-5-yl)sulfanylacetate

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NN2)C(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations