Geometry & MOs

Info

ID:	430244
PubChem CID:	135170308
Reduced:	O5C18H18 (1)
Stoich.:	A5B18C18 (1)
Weight, g/mol:	392.02594
ΔH_f, kcal/mol:	-132.3
Dipole, Da:	1.03
IP(EA), eV:	-8.99(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6S,7S)-4-(4-bromo-2-methoxyphenyl)-8-(methoxymethyl)-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

COCC1=CC2[C@H]3[C@@H](C1O2)C(=O)C(C3=O)C4=CC=CC=C4OC

DOS

IR

Vibrations