Geometry & MOs

Info

ID:	182059
PubChem CID:	76834839
Reduced:	Cl2N2O3C25H26 (1)
Stoich.:	A2B2C3D25E26 (1)
Weight, g/mol:	356.062037
ΔH_f, kcal/mol:	-76.68
Dipole, Da:	7.23
IP(EA), eV:	-9.79(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-carboxy-2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)butyl]azanium

Drug info:

PubChemData

Smile

CC(C)N1C(C(CC(C1=O)(C)CC2=NOC(=O)C2)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations