Geometry & MOs

Info

ID:	313839
PubChem CID:	126618204
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	362.012806
ΔH_f, kcal/mol:	-153.25
Dipole, Da:	5.77
IP(EA), eV:	-8.93(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations