Geometry & MOs

Info

ID:	302715
PubChem CID:	124393316
Reduced:	NO2Cl3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	453.1536
ΔH_f, kcal/mol:	-26.43
Dipole, Da:	4.86
IP(EA), eV:	-9.11(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC[C@@H](C)OC1=C(C=C(C=C1Cl)/C=C(/C#N)\C2=C(C=C(C=C2)Cl)Cl)OC

DOS

IR

Vibrations