Geometry & MOs

Info

ID:	160238
PubChem CID:	57309584
Reduced:	BrFN3O4C9H11 (1)
Stoich.:	ABC3D4E9F11 (1)
Weight, g/mol:	504.275486
ΔH_f, kcal/mol:	-185.83
Dipole, Da:	4.88
IP(EA), eV:	-9.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-anilino-5-(2-tert-butyl-4-hydroxyphenoxy)-2-chloro-N-hydroxydodecanamide

Drug info:

PubChemData

Smile

C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)Br)N)F

DOS

IR

Vibrations