Geometry & MOs

Info

ID:	270014
PubChem CID:	103622211
Reduced:	FNSO2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	394.97852
ΔH_f, kcal/mol:	-90.45
Dipole, Da:	5.03
IP(EA), eV:	-9.14(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(5-chloro-2-iodobenzoyl)-ethylamino]acetate

Drug info:

PubChemData

Smile

CCC(C1=CC=CS1)NC(=O)C2=C(C=C(C=C2)OC)F

DOS

IR

Vibrations