Geometry & MOs

Info

ID:	313843
PubChem CID:	126618211
Reduced:	SN3O5H15C17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-70.89
Dipole, Da:	6.97
IP(EA), eV:	-9.44(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]methylidene]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)S(=O)(=O)N2C=CC3=CC(=CN=C32)/C=C/C(=O)NO

DOS

IR

Vibrations