Geometry & MOs

Info

ID:	173733
PubChem CID:	75675744
Reduced:	FN2O5C26H28 (1)
Stoich.:	AB2C5D26E28 (1)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-156.33
Dipole, Da:	5.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769456
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-ethoxyphenyl)prop-2-enoyl]-6-hydroxy-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)F)[O-])C(=O)C(=O)N2CCCN4CCOCC4

DOS

IR

Vibrations