Geometry & MOs

Info

ID:	313840
PubChem CID:	126618205
Reduced:	ClSN2O4H11C16 (1)
Stoich.:	ABC2D4E11F16 (1)
Weight, g/mol:	446.151158
ΔH_f, kcal/mol:	-76.88
Dipole, Da:	5.38
IP(EA), eV:	-9.68(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[[1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]methylidene]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)N2C=CC3=CC(=CN=C32)/C=C/C(=O)O)Cl

DOS

IR

Vibrations