Geometry & MOs

Info

ID:	186489
PubChem CID:	77439129
Reduced:	NO10C31H37 (1)
Stoich.:	AB10C31D37 (1)
Weight, g/mol:	286.132885
ΔH_f, kcal/mol:	-395.03
Dipole, Da:	6.12
IP(EA), eV:	-8.85(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1-[4-hydroxy-5-(2-methylpropanoyl)oxolan-2-yl]-2-methylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1C(OC(CC1NC(C)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)C

DOS

IR

Vibrations