Geometry & MOs

Info

ID:	327403
PubChem CID:	126689804
Reduced:	BrFSO2N5H17C20 (1)
Stoich.:	ABCD2E5F17G20 (1)
Weight, g/mol:	378.261754
ΔH_f, kcal/mol:	16.73
Dipole, Da:	4.27
IP(EA), eV:	-8.77(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydroxypropan-2-yl 9,10,16-trihydroxyhexadecanoate

Drug info:

PubChemData

Smile

CN(C1=C(N=C2N1N=C(C=C2)Br)/C=C/C(O)OC)C3=NC(=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations