Geometry & MOs

Info

ID:	19402
PubChem CID:	563140
Reduced:	NO9H33C36 (1)
Stoich.:	AB9C33D36 (1)
Weight, g/mol:	623.215532
ΔH_f, kcal/mol:	-276.02
Dipole, Da:	4.29
IP(EA), eV:	-9.56(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetamido-3,4-dibenzoyloxy-6-phenylmethoxyoxan-2-yl)methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations