Geometry & MOs

Info

ID:	218683
PubChem CID:	85089803
Reduced:	N3O5C18H32 (1)
Stoich.:	A3B5C18D32 (1)
Weight, g/mol:	497.196214
ΔH_f, kcal/mol:	-214.57
Dipole, Da:	8.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755039
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-5-[5-(2-methylpropanoylamino)-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl 4-phenylbenzoate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)CO)OCC[N+]3(CCCCC3)C

DOS

IR

Vibrations