Geometry & MOs

Info

ID:	60037
PubChem CID:	26665850
Reduced:	NF3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	496.103729
ΔH_f, kcal/mol:	-250.56
Dipole, Da:	6.31
IP(EA), eV:	-9.4(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chloro-5-nitrobenzoyl)amino]phenyl] 4-(4-ethoxyphenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations