Geometry & MOs

Info

ID:	147068
PubChem CID:	53786666
Reduced:	BrCl2F4O4H13C17 (1)
Stoich.:	AB2C4D4E13F17 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	-326.21
Dipole, Da:	3.23
IP(EA), eV:	-9.01(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-acetamidophenyl)-2-ethylbutyl] methanesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCCCOC2=C(C=C(C=C2Cl)O)Cl)OC(C(F)(F)Br)(F)F

DOS

IR

Vibrations