Geometry & MOs

Info

ID:	63808
PubChem CID:	26759229
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	411.125277
ΔH_f, kcal/mol:	-111.09
Dipole, Da:	9.44
IP(EA), eV:	-9.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=C/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

DOS

IR

Vibrations