Geometry & MOs

Info

ID:	51300
PubChem CID:	12013946
Reduced:	ClN2O3H13C19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	352.06147
ΔH_f, kcal/mol:	8.44
Dipole, Da:	1.19
IP(EA), eV:	-9.02(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-3-(6-chloro-4-oxochromen-3-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile

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