Geometry & MOs

Info

ID:	377959
PubChem CID:	134224026
Reduced:	ClNO5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	471.084906
ΔH_f, kcal/mol:	-192.47
Dipole, Da:	12.97
IP(EA), eV:	-9.52(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-benzoyl-1-(4-chlorophenyl)-6-(trifluoromethyl)indole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)O[C@@H]4CCOC4

DOS

IR

Vibrations