Geometry & MOs

Info

ID:	219766
PubChem CID:	85164874
Reduced:	N4O7C32H42 (1)
Stoich.:	A4B7C32D42 (1)
Weight, g/mol:	594.340398
ΔH_f, kcal/mol:	-292.67
Dipole, Da:	5.28
IP(EA), eV:	-9.21(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4,6,8,12,14,16-hexahydroxy-27,28-dimethyl-2-oxo-1-oxacyclooctacosa-17,19,21,23,25-pentaene-15-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)C3C(CCCN3)C(=O)NC

DOS

IR

Vibrations