Geometry & MOs

Info

ID:	63848
PubChem CID:	26759311
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	446.151158
ΔH_f, kcal/mol:	-114.6
Dipole, Da:	9.56
IP(EA), eV:	-9.21(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,5-dimethoxyphenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations