Geometry & MOs

Info

ID:	394203
PubChem CID:	135022529
Reduced:	BrO6C24H35 (1)
Stoich.:	AB6C24D35 (1)
Weight, g/mol:	410.172939
ΔH_f, kcal/mol:	-269.66
Dipole, Da:	3.77
IP(EA), eV:	-8.71(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,7R,15Z)-11,20-dimethoxy-5,13,18-trioxatetracyclo[17.2.2.29,12.03,7]pentacosa-1(21),9,11,15,19,22,24-heptaen-4-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1(CC[C@H](C1C2(OCCO2)CCOCC3=CC=C(C=C3)OC)CCBr)C

DOS

IR

Vibrations