Geometry & MOs

Info

ID:	313850
PubChem CID:	126618218
Reduced:	FSN3O4H14C16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	375.052506
ΔH_f, kcal/mol:	-101.78
Dipole, Da:	4.04
IP(EA), eV:	-9.11(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-(4-nitrophenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(C2=C1C=C(C=N2)/C=C/C(=O)NO)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations