Geometry & MOs

Info

ID:	191647
PubChem CID:	78172848
Reduced:	BrO3N4C11H11 (1)
Stoich.:	AB3C4D11E11 (1)
Weight, g/mol:	622.480854
ΔH_f, kcal/mol:	-93.57
Dipole, Da:	4.73
IP(EA), eV:	-9.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[13-[5-(6-decyl-5-hydroxyoxan-2-yl)oxolan-2-yl]-2,13-dihydroxytridecyl]-2-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

C1C2C(C3C1(NC(=O)N3)O)NC(=O)C4=CC=C(N24)Br

DOS

IR

Vibrations