Geometry & MOs

Info

ID:	313842
PubChem CID:	126618210
Reduced:	SN2O6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	373.073242
ΔH_f, kcal/mol:	-188.68
Dipole, Da:	7.74
IP(EA), eV:	-8.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-hydroxy-3-[1-(3-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide

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)OC)/C(=O)O

DOS

IR

Vibrations