Geometry & MOs

Info

ID:	192403
PubChem CID:	78265323
Reduced:	ClSO3N4H18C21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	479.109055
ΔH_f, kcal/mol:	14.06
Dipole, Da:	8.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767463
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-[[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxy-6-prop-2-enylphenoxy]acetate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC=CC(=O)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations