Geometry & MOs

Info

ID:	61199
PubChem CID:	26707012
Reduced:	ClFSN2O5C19H20 (1)
Stoich.:	ABCD2E5F19G20 (1)
Weight, g/mol:	476.161722
ΔH_f, kcal/mol:	-208.71
Dipole, Da:	9.0
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations