Geometry & MOs

Info

ID:	313854
PubChem CID:	126618224
Reduced:	FSN2O4H15C17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	362.073656
ΔH_f, kcal/mol:	-140.35
Dipole, Da:	2.6
IP(EA), eV:	-9.16(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[1-(3-fluorophenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]prop-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations