Geometry & MOs

Info

ID:	320332
PubChem CID:	126659541
Reduced:	ClNO5C22H26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	471.186815
ΔH_f, kcal/mol:	-205.32
Dipole, Da:	4.15
IP(EA), eV:	-9.08(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)OCOC(=O)C(C[C@@H](CC1=CC=C(C=C1)C2=CC(=CC=C2)Cl)N)O

DOS

IR

Vibrations