Geometry & MOs

Info

ID:	303072
PubChem CID:	124489176
Reduced:	SO2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	318.115047
ΔH_f, kcal/mol:	14.53
Dipole, Da:	5.03
IP(EA), eV:	-9.44(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=CC=C1)SC2=NN=NN2C[C@@H]3CCCO3

DOS

IR

Vibrations