Geometry & MOs

Info

ID:	80491
PubChem CID:	49834731
Reduced:	BrFSN2O3H22C24 (1)
Stoich.:	ABCD2E3F22G24 (1)
Weight, g/mol:	526.496111
ΔH_f, kcal/mol:	-100.25
Dipole, Da:	6.59
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxypropyl 2-dodecyloctadecanoate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC(=CC=C3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations