Geometry & MOs

Info

ID:	403058
PubChem CID:	135058559
Reduced:	PO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	371.91836
ΔH_f, kcal/mol:	-119.31
Dipole, Da:	4.4
IP(EA), eV:	-9.04(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-7,9-dibromo-2-methyl-3-prop-2-ynoylspiro[4.5]deca-6,9-dien-8-one

Drug info:

PubChemData

Smile

CC(C)(C)[P@](=O)(C1=CC=CC=C1)C(C2=CC=CO2)O

DOS

IR

Vibrations