Geometry & MOs

Info

ID:	378083
PubChem CID:	134224154
Reduced:	N2O2F3C12H13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	493.009548
ΔH_f, kcal/mol:	-201.88
Dipole, Da:	4.3
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1-(3-chlorophenyl)-3-[4-(trifluoromethoxy)benzoyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N/NC1=CC=CC(=C1)C(F)(F)F)/C

DOS

IR

Vibrations