Geometry & MOs

Info

ID:	397192
PubChem CID:	135029865
Reduced:	OBr2H20C25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	424.203845
ΔH_f, kcal/mol:	27.3
Dipole, Da:	4.04
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-oxo-2-(3-pentacyclo[14.3.2.27,10.14,19.113,17]pentacosa-1(19),2,4(22),7,9,13(23),14,16,24-nonaenyl)acetate

Drug info:

PubChemData

Smile

C1CC2=CC3=C(C=C2)C(C(C4=C(C3=O)C=C(CCC5=CC=C1C=C5)C=C4)Br)Br

DOS

IR

Vibrations