Geometry & MOs

Info

ID:	64024
PubChem CID:	26759708
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	494.05111
ΔH_f, kcal/mol:	-143.04
Dipole, Da:	3.89
IP(EA), eV:	-8.56(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations