Geometry & MOs

Info

ID:	395965
PubChem CID:	135027035
Reduced:	SO6C35H38 (1)
Stoich.:	AB6C35D38 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-177.23
Dipole, Da:	6.16
IP(EA), eV:	-8.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3Z)-4-methyl-2-oxo-1,6-dihydro-5,1-benzoxazocin-6-yl] acetate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC2=C1C3=CC(=C(C=C3CC2)OC)C4=C(C=C(C=C4)OC)CCCS(=O)(=O)C5=CC=CC=C5)OC

DOS

IR

Vibrations