Geometry & MOs

Info

ID:	139581
PubChem CID:	52562415
Reduced:	NSO7C18H19 (1)
Stoich.:	ABC7D18E19 (1)
Weight, g/mol:	473.158469
ΔH_f, kcal/mol:	-230.63
Dipole, Da:	6.13
IP(EA), eV:	-8.95(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(2-fluorophenyl)sulfanylpropanoylamino]acetate

Drug info:

PubChemData

Smile

COCCOC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations