Geometry & MOs

Info

ID:	36909
PubChem CID:	8014544
Reduced:	SO3N4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	345.137636
ΔH_f, kcal/mol:	-23.17
Dipole, Da:	11.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.262034
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethoxybenzoate

Drug info:

PubChemData

Smile

CC(=NNC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CCC(=O)[O-])C

DOS

IR

Vibrations