Geometry & MOs

Info

ID:	395052
PubChem CID:	135024524
Reduced:	NOH19C26 (2)
Stoich.:	ABC19D26 (2)
Weight, g/mol:	395.97587
ΔH_f, kcal/mol:	143.78
Dipole, Da:	3.15
IP(EA), eV:	-8.43(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3,4-dibromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one

Drug info:

PubChemData

Smile

CN1C(=O)C2(C3=C(C1(N(C2=O)C)C4=CC=CC=C4)C=C5C(=C3)C(=C(C(=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations