Geometry & MOs

Info

ID:	84871
PubChem CID:	49870448
Reduced:	NO4C29H35 (1)
Stoich.:	AB4C29D35 (1)
Weight, g/mol:	477.251523
ΔH_f, kcal/mol:	-123.16
Dipole, Da:	5.12
IP(EA), eV:	-9.37(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[2-(4-hydroxyoxan-4-yl)ethynyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C#CC2(CCCC2)O)N3CC[C@](OC3=O)(CC(C)(C)O)C4=CC=CC=C4

DOS

IR

Vibrations