Geometry & MOs

Info

ID:	123528
PubChem CID:	50852500
Reduced:	NO3H25C28 (1)
Stoich.:	AB3C25D28 (1)
Weight, g/mol:	484.097408
ΔH_f, kcal/mol:	-42.13
Dipole, Da:	0.89
IP(EA), eV:	-8.44(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OCCN3C4=CC=CC=C4C5=CC=CC=C53

DOS

IR

Vibrations