Geometry & MOs

Info

ID:	42934
PubChem CID:	10317246
Reduced:	NO2C24H39 (1)
Stoich.:	AB2C24D39 (1)
Weight, g/mol:	373.067678
ΔH_f, kcal/mol:	-137.29
Dipole, Da:	3.16
IP(EA), eV:	-9.32(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9-methoxy-4-methylpyrimido[1,2-b]pyridazine-2,7-dione

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)CC(=O)NC1=C(C=CC=C1C(C)C)C(C)C

DOS

IR

Vibrations