Geometry & MOs

Info

ID:	51301
PubChem CID:	12013947
Reduced:	ClN2O3H13C19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	403.097521
ΔH_f, kcal/mol:	8.67
Dipole, Da:	4.47
IP(EA), eV:	-9.02(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[(3S,5R)-2,5-diphenyl-1,2-oxazolidin-3-yl]chromen-4-one

Drug info:

PubChemData

Smile

C1[C@H](ON([C@@H]1C2=COC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC=C4)C#N

DOS

IR

Vibrations