Geometry & MOs

Info

ID:	190516
PubChem CID:	78014881
Reduced:	ON5C28H35 (1)
Stoich.:	AB5C28D35 (1)
Weight, g/mol:	464.123796
ΔH_f, kcal/mol:	17.87
Dipole, Da:	2.22
IP(EA), eV:	-8.15(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-acetyloxy-3-chlorooxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)C(=O)NCN

DOS

IR

Vibrations