Geometry & MOs

Info

ID:	83594
PubChem CID:	49858487
Reduced:	O2H11C12 (2)
Stoich.:	A2B11C12 (2)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-117.76
Dipole, Da:	4.68
IP(EA), eV:	-9.33(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S,5S,6R)-1-benzyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate

Drug info:

PubChemData

Smile

CCCC[C@]12CC3=CC=CC=C3[C@H](O1)C4=C(O2)C=C(OC4=O)C5=CC=CC=C5

DOS

IR

Vibrations