Geometry & MOs

Info

ID:	50464
PubChem CID:	12013004
Reduced:	NO2C19H31 (1)
Stoich.:	AB2C19D31 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-114.44
Dipole, Da:	3.36
IP(EA), eV:	-9.46(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R)-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1[C@H]2CC[C@@H]([C@]2(CCCC1=O)C)C(=C)C

DOS

IR

Vibrations