Geometry & MOs

Info

ID:	50466
PubChem CID:	12013006
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-150.3
Dipole, Da:	6.9
IP(EA), eV:	-8.99(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R)-3-[(2S,3S)-3-hydroxy-3-(2-methoxyphenyl)-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=C(C=C2)OC)O)C3=CC=CC=C3

DOS

IR

Vibrations