Geometry & MOs

Info

ID:	195441
PubChem CID:	78686467
Reduced:	Cl2N2O3C18H20 (1)
Stoich.:	A2B2C3D18E20 (1)
Weight, g/mol:	370.988276
ΔH_f, kcal/mol:	-102.23
Dipole, Da:	7.01
IP(EA), eV:	-9.99(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chloroanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations