Geometry & MOs

Info

ID:	144246
PubChem CID:	53337583
Reduced:	SO3N4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	239.025229
ΔH_f, kcal/mol:	23.07
Dipole, Da:	7.19
IP(EA), eV:	-8.38(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-cyanophenyl)sulfonylacetate

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC(=C(C=C2)OC)OC)C3=NC(=CS3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations