Geometry & MOs

Info

ID:	137520
PubChem CID:	52219210
Reduced:	SN2O5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	352.076075
ΔH_f, kcal/mol:	-112.02
Dipole, Da:	4.15
IP(EA), eV:	-9.32(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-chlorophenyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)N[C@@H](CC(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations