Geometry & MOs

Info

ID:	341764
PubChem CID:	127264457
Reduced:	ClN3O4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	490.156243
ΔH_f, kcal/mol:	-88.47
Dipole, Da:	3.62
IP(EA), eV:	-8.66(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[4-[3-methyl-4-(N-methylsulfonylanilino)-1,2-oxazol-5-yl]phenyl]phenyl]acetate

Drug info:

PubChemData

Smile

CNC(=O)[C@H]1CC2=C([C@@H](N1C(=O)CCl)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25

DOS

IR

Vibrations