Geometry & MOs

Info

ID:	313847
PubChem CID:	126618215
Reduced:	SN2O6C18H18 (1)
Stoich.:	AB2C6D18E18 (1)
Weight, g/mol:	380.083078
ΔH_f, kcal/mol:	-163.4
Dipole, Da:	6.5
IP(EA), eV:	-8.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=C2N=CC(=C3)/C=C/C(=O)O)OC

DOS

IR

Vibrations