Geometry & MOs

Info

ID:	394009
PubChem CID:	135022165
Reduced:	BrO2H13C20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	543.229074
ΔH_f, kcal/mol:	14.01
Dipole, Da:	3.49
IP(EA), eV:	-8.93(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R,5R)-2-(8-acetyloxyoct-6-enyl)-1-(4-methylphenyl)sulfonyl-6-oxo-4-propan-2-yl-4,5-dihydrocyclopenta[b]pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

C=C1C(C2=C(C=CC3=CC=CC=C32)OC1=O)C4=CC=CC=C4Br

DOS

IR

Vibrations