Geometry & MOs

Info

ID:	377944
PubChem CID:	134224011
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	437.058549
ΔH_f, kcal/mol:	-219.36
Dipole, Da:	14.13
IP(EA), eV:	-9.1(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations