Geometry & MOs

Info

ID:	19344
PubChem CID:	562041
Reduced:	NO8H41C43 (1)
Stoich.:	AB8C41D43 (1)
Weight, g/mol:	699.283217
ΔH_f, kcal/mol:	-203.36
Dipole, Da:	5.86
IP(EA), eV:	-9.29(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[acetyl(benzoyl)amino]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] benzoate

Drug info:

PubChemData

Smile

CC(=O)N(C1C(C(C(OC1OC(=O)C2=CC=CC=C2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations