Geometry & MOs

Info

ID:	218038
PubChem CID:	85088778
Reduced:	ClO6C22H27 (1)
Stoich.:	AB6C22D27 (1)
Weight, g/mol:	425.123443
ΔH_f, kcal/mol:	-163.49
Dipole, Da:	8.53
IP(EA), eV:	-8.93(-1.54)
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-hydroxyoxolan-2-yl]methyl 3-(2-nitrophenyl)propanoate

Drug info:

PubChemData

Smile

CC(=O)C1(CCC2C1(CC(C3C2C=C(C4=CC(=O)OCC34C)Cl)OC(=O)C)C)O

DOS

IR

Vibrations