Geometry & MOs

Info

ID:	170809
PubChem CID:	75282430
Reduced:	F3N4O6H25C28 (1)
Stoich.:	A3B4C6D25E28 (1)
Weight, g/mol:	478.246772
ΔH_f, kcal/mol:	-346.43
Dipole, Da:	4.02
IP(EA), eV:	-9.34(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxy-2-methylpropyl)-3-[1-[4-(1-methyl-6-oxopyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;hydrate

Drug info:

PubChemData

Smile

C1C(NC(=O)N(C1=O)CC2=CC=CC=C2)C(=O)NCC3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)O)OC(F)(F)F

DOS

IR

Vibrations