Geometry & MOs

Info

ID:	139361
PubChem CID:	52516754
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	374.104876
ΔH_f, kcal/mol:	-82.4
Dipole, Da:	7.23
IP(EA), eV:	-9.23(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC(=CC=C1)S(=O)(=O)N[C@H]2CCC3=CC=CC=C3C2

DOS

IR

Vibrations