Geometry & MOs

Info

ID:	391560
PubChem CID:	135006493
Reduced:	N3C11H11 (2)
Stoich.:	A3B11C11 (2)
Weight, g/mol:	361.89762
ΔH_f, kcal/mol:	108.47
Dipole, Da:	4.58
IP(EA), eV:	-8.68(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,4-dibromo-2-[(R)-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=CC(=N2)NC3=CC=CC(=C3)C#N)NC4=CC=CC=C4

DOS

IR

Vibrations