Geometry & MOs

Info

ID:	64016
PubChem CID:	26759693
Reduced:	SN2O5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	437.140927
ΔH_f, kcal/mol:	-151.17
Dipole, Da:	6.97
IP(EA), eV:	-9.14(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations