Geometry & MOs

Info

ID:	404089
PubChem CID:	135064948
Reduced:	O2C5H6 (3)
Stoich.:	A2B5C6 (3)
Weight, g/mol:	312.03611
ΔH_f, kcal/mol:	-261.96
Dipole, Da:	2.05
IP(EA), eV:	-9.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-7-bromo-4-hydroxy-3-pentyl-3,4-dihydroisochromen-1-one

Drug info:

PubChemData

Smile

CC(=O)OCC1=CC=C(C=C1)[C@@H](COC(=O)C)OC(=O)C

DOS

IR

Vibrations