Geometry & MOs

Info

ID:	51299
PubChem CID:	12013945
Reduced:	ClNO4C22H22 (1)
Stoich.:	ABC4D22E22 (1)
Weight, g/mol:	352.06147
ΔH_f, kcal/mol:	-91.49
Dipole, Da:	4.53
IP(EA), eV:	-8.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CO[C@H]1C[C@H](N(O1)C2=CC=CC=C2)C3=COC4=C(C3=O)C=C(C=C4)Cl

DOS

IR

Vibrations