Geometry & MOs

Info

ID:	313855
PubChem CID:	126618225
Reduced:	FSN2O4H15C17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	423.125277
ΔH_f, kcal/mol:	-135.37
Dipole, Da:	4.02
IP(EA), eV:	-9.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=CC2=C(N=C1)N(CC2)S(=O)(=O)C3=CC=CC(=C3)F

DOS

IR

Vibrations