Geometry & MOs

Info

ID:	224427
PubChem CID:	85342771
Reduced:	ClN2O8C19H21 (1)
Stoich.:	AB2C8D19E21 (1)
Weight, g/mol:	440.11984
ΔH_f, kcal/mol:	-291.82
Dipole, Da:	3.14
IP(EA), eV:	-9.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-bromo-7-[2-(furan-3-yl)-1-methyl-5-oxocyclopentyl]-3-hydroxyhept-4-enoate

Drug info:

PubChemData

Smile

COC(=O)C1CC2(C(C(C1N2)(C(=O)OC)C(=O)OC)C3=CN=C(C=C3)Cl)C(=O)OC

DOS

IR

Vibrations