Geometry & MOs

Info

ID:	51308
PubChem CID:	12013954
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-91.63
Dipole, Da:	5.05
IP(EA), eV:	-8.44(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-[(3S,5S)-5-(2-methylpropoxy)-2-phenyl-1,2-oxazolidin-3-yl]chromen-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC=C(C2=O)[C@@H]3C[C@@H](ON3C4=CC=CC=C4)OCC(C)C

DOS

IR

Vibrations