Geometry & MOs

Info

ID:	33271
PubChem CID:	7885760
Reduced:	ClN2O5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	402.1591
ΔH_f, kcal/mol:	-181.1
Dipole, Da:	7.08
IP(EA), eV:	-9.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluoroanilino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations