Geometry & MOs

Info

ID:	166949
PubChem CID:	74758097
Reduced:	ClFN3O7H11C17 (1)
Stoich.:	ABC3D7E11F17 (1)
Weight, g/mol:	424.078577
ΔH_f, kcal/mol:	-119.28
Dipole, Da:	3.46
IP(EA), eV:	-9.8(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-yl)-2-oxoethyl] 3-(4-chloro-3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=CC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)[N+](=O)[O-])Cl

DOS

IR

Vibrations