Geometry & MOs

Info

ID:	262388
PubChem CID:	103290080
Reduced:	ClNSO2C16H24 (1)
Stoich.:	ABCD2E16F24 (1)
Weight, g/mol:	309.098806
ΔH_f, kcal/mol:	-101.62
Dipole, Da:	3.44
IP(EA), eV:	-9.52(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(methylamino)-4-(2,3,5,6-tetrafluorophenoxy)butanoate

Drug info:

PubChemData

Smile

CCCC1CCC(C(C1)S(=O)(=O)CC2=CC=CC=C2Cl)N

DOS

IR

Vibrations