Geometry & MOs

Info

ID:	185571
PubChem CID:	77315038
Reduced:	F2S2N4O7C32H46 (1)
Stoich.:	A2B2C4D7E32F46 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-403.9
Dipole, Da:	5.33
IP(EA), eV:	-8.87(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(4-methylphenyl)ethylamino]propanoate

Drug info:

PubChemData

Smile

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(C(C(CCSC)NC(=O)C)O)O)NC(=O)C2=CN=CC=C2

DOS

IR

Vibrations