Geometry & MOs

Info

ID:	391811
PubChem CID:	135009752
Reduced:	FNO3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	391.196756
ΔH_f, kcal/mol:	-127.84
Dipole, Da:	1.28
IP(EA), eV:	-9.4(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(3R,6R)-3-methyl-6-phenyl-4-(trimethylsilylmethyl)-3,6-dihydrooxazin-2-yl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=C)[C@@H]([C@@H](ON1C(=O)OC(C)(C)C)C2=CC=CC=C2)F

DOS

IR

Vibrations