Geometry & MOs

Info

ID:	189780
PubChem CID:	77903578
Reduced:	SN4O8H30C31 (1)
Stoich.:	AB4C8D30E31 (1)
Weight, g/mol:	294.050631
ΔH_f, kcal/mol:	-245.04
Dipole, Da:	7.76
IP(EA), eV:	-9.51(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-diacetyl-5-chloro-3,4-dihydroxyoxolan-2-yl)-1-hydroxypropan-2-one

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N(CC4=CC=CC=C4)C(=O)C5=CC(=C(C=C5)O)O)C(=O)O)C

DOS

IR

Vibrations