Geometry & MOs

Info

ID:	169361
PubChem CID:	75092545
Reduced:	FSN8C24H33 (1)
Stoich.:	ABC8D24E33 (1)
Weight, g/mol:	423.225702
ΔH_f, kcal/mol:	64.62
Dipole, Da:	6.85
IP(EA), eV:	-8.35(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[6-(3,5-dihydroxy-6-methyloxan-2-yl)oxyheptanoylamino]benzoate

Drug info:

PubChemData

Smile

CC1CC(NN1)NC2=NC(=NN3C2=CC=C3)C(C4=CC=C(C=C4)F)SCCN5CCN(CC5)C

DOS

IR

Vibrations