Geometry & MOs

Info

ID:	189556
PubChem CID:	77872606
Reduced:	BrClN2O5C16H16 (1)
Stoich.:	ABC2D5E16F16 (1)
Weight, g/mol:	405.154743
ΔH_f, kcal/mol:	-165.57
Dipole, Da:	3.57
IP(EA), eV:	-9.11(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-(butanoylamino)propanoate

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CCOC2=C(C=C(C=C2)Br)Cl.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations