Geometry & MOs

Info

ID:	168673
PubChem CID:	75000325
Reduced:	ClO2N4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	543.377118
ΔH_f, kcal/mol:	6.5
Dipole, Da:	1.15
IP(EA), eV:	-8.94(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7,8,9,10-pentahydroxy-2-propyl-1-oxa-4-azacyclooctacos-12-ene-3,28-dione

Drug info:

PubChemData

Smile

CC1=CN2C3=C(C=C(C=C3)Cl)C(=NC(C2=N1)CCC(=O)OC)C4=CC=CC=N4

DOS

IR

Vibrations