Geometry & MOs

Info

ID:	51297
PubChem CID:	12013943
Reduced:	N2O4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	371.092436
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	3.25
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](N(O[C@H]1C(=O)N)C2=CC=CC=C2)C3=COC4=CC=CC=C4C3=O

DOS

IR

Vibrations