Geometry & MOs

Info

ID:	313867
PubChem CID:	126618244
Reduced:	NSO4C29H31 (1)
Stoich.:	ABC4D29E31 (1)
Weight, g/mol:	362.073656
ΔH_f, kcal/mol:	-110.03
Dipole, Da:	6.26
IP(EA), eV:	-9.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C=C/C(=O)O

DOS

IR

Vibrations