Geometry & MOs

Info

ID:	217385
PubChem CID:	85087738
Reduced:	O2F3N5H8C16 (1)
Stoich.:	A2B3C5D8E16 (1)
Weight, g/mol:	361.128528
ΔH_f, kcal/mol:	2.1
Dipole, Da:	4.81
IP(EA), eV:	-10.25(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[5-(5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxyoxolan-2-yl]methylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C#N)N2N=C3C=CC(=CC3=N2)C(F)(F)F

DOS

IR

Vibrations