Geometry & MOs

Info

ID:	186057
PubChem CID:	77385105
Reduced:	FN2O6C16H29 (1)
Stoich.:	AB2C6D16E29 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-378.35
Dipole, Da:	3.53
IP(EA), eV:	-10.81(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-hydroxy-1-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)-3-oxo-4-phenylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)O.CC(C)(C)CC(=O)O.C1C(C(=O)NC(=O)N1)F

DOS

IR

Vibrations