Geometry & MOs

Info

ID:	84847
PubChem CID:	49870316
Reduced:	O4C37H56 (1)
Stoich.:	A4B37C56 (1)
Weight, g/mol:	463.235873
ΔH_f, kcal/mol:	-89.42
Dipole, Da:	5.75
IP(EA), eV:	-9.45(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-2,2-dimethylbut-3-ynoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC#CC#CCCCCCCCCCC(CCC#CC#CCCC)(C(=O)O)C(=O)O

DOS

IR

Vibrations