Geometry & MOs

Info

ID:	145052
PubChem CID:	53452794
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	399.062198
ΔH_f, kcal/mol:	1.75
Dipole, Da:	2.88
IP(EA), eV:	-8.46(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]ethenylamino]benzoic acid

Drug info:

PubChemData

Smile

CCCN1CCC2(CC1)N3C(C=C(N3)C4=CC=CS4)C5=C(O2)C(=CC=C5)OC

DOS

IR

Vibrations