Geometry & MOs

Info

ID:	342223
PubChem CID:	127265000
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	434.151158
ΔH_f, kcal/mol:	-48.2
Dipole, Da:	2.83
IP(EA), eV:	-8.32(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[(4-methoxy-3-morpholin-4-ylsulfonylanilino)methylidene]-3-propoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCN/C=C/2\C(=O)C=CC3=CC=CC=C32

DOS

IR

Vibrations