Geometry & MOs

Info

ID:	303071
PubChem CID:	124489175
Reduced:	OSN2C5H6 (2)
Stoich.:	ABC2D5E6 (2)
Weight, g/mol:	318.115047
ΔH_f, kcal/mol:	16.57
Dipole, Da:	6.0
IP(EA), eV:	-9.34(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)SC1=NN=NN1CC2=CC=CS2

DOS

IR

Vibrations