Geometry & MOs

Info

ID:	146970
PubChem CID:	53776839
Reduced:	O2N3H23C25 (2)
Stoich.:	A2B3C23D25 (2)
Weight, g/mol:	394.178024
ΔH_f, kcal/mol:	83.46
Dipole, Da:	2.0
IP(EA), eV:	-8.71(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methoxy-4-(2-methyl-3-phenyloxiran-2-yl)-1-oxaspiro[2.5]octan-6-yl] benzoate

Drug info:

PubChemData

Smile

CONC1=C2C(=NC(=N1)N)N(C=N2)C3CC(C(C3)(COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O)OC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations