Geometry & MOs

Info

ID:	49410
PubChem CID:	11532986
Reduced:	SN4O4H22C25 (1)
Stoich.:	AB4C4D22E25 (1)
Weight, g/mol:	474.20738
ΔH_f, kcal/mol:	-27.84
Dipole, Da:	3.1
IP(EA), eV:	-8.51(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,2S,3R,4R,5S)-2,3-dihydroxy-5-methyl-4-(2-phenylacetyl)oxy-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(O2)C3=C(C4=CC=CC=C4N3)CCNS(=O)(=O)C5=CC=C(C=C5)C(=O)NN

DOS

IR

Vibrations