Geometry & MOs

Info

ID:	430211
PubChem CID:	135170275
Reduced:	BrO5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	395.03684
ΔH_f, kcal/mol:	-130.21
Dipole, Da:	2.54
IP(EA), eV:	-9.27(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S,8S)-4-(4-bromo-2-methoxyphenyl)-8-(methoxyamino)-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

COCC1=CC2[C@H]3[C@@H]([C@@H]1O2)C(=O)C(C3=O)C4=C(C=C(C=C4)Br)OC

DOS

IR

Vibrations