Geometry & MOs

Info

ID:	268739
PubChem CID:	103600724
Reduced:	NOSF2C8H9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-121.78
Dipole, Da:	3.01
IP(EA), eV:	-9.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)NC(=O)C(F)F

DOS

IR

Vibrations