Geometry & MOs

Info

ID:	58966
PubChem CID:	24769862
Reduced:	BrO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	387.204573
ΔH_f, kcal/mol:	-82.99
Dipole, Da:	5.07
IP(EA), eV:	-8.84(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(1R,3S,4R,5S,10S,13R)-13-butyl-5-methyl-7,14-dioxa-12-azatetracyclo[8.3.1.03,12.04,8]tetradec-8-en-6-ylidene]-4-methoxy-3-methylfuran-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1OC)Br)C=O)OCC2=CC=CC=C2

DOS

IR

Vibrations