Geometry & MOs

Info

ID:	89966
PubChem CID:	49965639
Reduced:	SO4N5C22H23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	637.29993
ΔH_f, kcal/mol:	-63.1
Dipole, Da:	11.52
IP(EA), eV:	-7.92(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-4-oxopiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)NC4=C3SC(=N4)NC)N)C#N)OCC

DOS

IR

Vibrations