Geometry & MOs

Info

ID:	137472
PubChem CID:	52212303
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	404.055246
ΔH_f, kcal/mol:	-103.25
Dipole, Da:	1.77
IP(EA), eV:	-9.49(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-(2-cyanophenoxy)-N-(4-methoxy-2-nitrophenyl)sulfonylpropanimidate

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCCOC

DOS

IR

Vibrations