Geometry & MOs

Info

ID:	50467
PubChem CID:	12013007
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	412.163436
ΔH_f, kcal/mol:	-147.19
Dipole, Da:	3.59
IP(EA), eV:	-8.99(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R)-3-[(2S,3S)-3-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylpropanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N(N1C)C(=O)[C@@H](C)[C@@H](C2=CC=CC=C2OC)O)C3=CC=CC=C3

DOS

IR

Vibrations