Geometry & MOs

Info

ID:	426843
PubChem CID:	135154131
Reduced:	BrO3H23C24 (1)
Stoich.:	AB3C23D24 (1)
Weight, g/mol:	1118.091541
ΔH_f, kcal/mol:	-60.65
Dipole, Da:	4.86
IP(EA), eV:	-8.45(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R,4R,5R,6R)-2,4,5-trihexadecyl-2,4,5-trihydroxy-6-(1-hydroxyheptadecyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)(CCC2=C(C3=C(O2)C=CC(=C3)Br)C4=CC=C(O4)C)O

DOS

IR

Vibrations