Geometry & MOs

Info

ID:	169354
PubChem CID:	75091457
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	752.140743
ΔH_f, kcal/mol:	-21.42
Dipole, Da:	2.62
IP(EA), eV:	-8.67(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetamido-4-acetyloxy-6-[1,2-diacetyloxy-3-[(4-chlorobenzoyl)amino]propyl]-2-[(2,3,4,5,6-pentafluorophenyl)methoxy]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC(NN2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations