Geometry & MOs

Info

ID:	378078
PubChem CID:	134224149
Reduced:	NCl3O3H14C22 (1)
Stoich.:	AB3C3D14E22 (1)
Weight, g/mol:	521.040848
ΔH_f, kcal/mol:	-62.98
Dipole, Da:	1.22
IP(EA), eV:	-9.18(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-chloro-1-(3-chlorophenyl)-3-[4-(trifluoromethoxy)benzoyl]indole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(=O)C2=C(N(C3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)Cl)C(O)O

DOS

IR

Vibrations