Geometry & MOs

Info

ID:	313165
PubChem CID:	126612354
Reduced:	SN4C8H12 (1)
Stoich.:	AB4C8D12 (1)
Weight, g/mol:	418.214409
ΔH_f, kcal/mol:	44.87
Dipole, Da:	3.43
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6R)-2-methyl-6-(2-methylphenoxy)-3,4-bis(phenylmethoxy)oxane

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)N2CCCNS2

DOS

IR

Vibrations