Geometry & MOs

Info

ID:	395310
PubChem CID:	135025174
Reduced:	O4C14H17 (2)
Stoich.:	A4B14C17 (2)
Weight, g/mol:	433.171165
ΔH_f, kcal/mol:	-278.79
Dipole, Da:	7.93
IP(EA), eV:	-8.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6S)-4-ethenyl-6-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane

Drug info:

PubChemData

Smile

CCOCCOC(=O)/C=C/C1=C(C=CC(=C1)C2=CC(=C(C=C2)OC)/C=C/C(=O)OCCOCC)OC

DOS

IR

Vibrations