Geometry & MOs

Info

ID:	61644
PubChem CID:	26711342
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	377.104542
ΔH_f, kcal/mol:	-77.91
Dipole, Da:	4.04
IP(EA), eV:	-8.62(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=O)CCCSC3=CC=CC=C3

DOS

IR

Vibrations