Geometry & MOs

Info

ID:	313838
PubChem CID:	126618203
Reduced:	SN2O6H22C23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-164.39
Dipole, Da:	3.7
IP(EA), eV:	-9.54(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/C1=CN=C2C(=C1)C=CN2S(=O)(=O)C3=CC=CC(=C3)/C=C/C(=O)O

DOS

IR

Vibrations