Geometry & MOs

Info

ID:	168448
PubChem CID:	74968981
Reduced:	SO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	485.206304
ΔH_f, kcal/mol:	24.9
Dipole, Da:	1.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.827181
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-2-(phenoxymethyl)-4-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethylamino)pentanoic acid

Drug info:

PubChemData

Smile

CN1C(=C[N+](=C1SC)C2=CC=C(C=C2)OC)C=NO

DOS

IR

Vibrations