Geometry & MOs

Info

ID:	377981
PubChem CID:	134224048
Reduced:	ClSN2O2F3H12C14 (1)
Stoich.:	ABC2D2E3F12G14 (1)
Weight, g/mol:	404.97673
ΔH_f, kcal/mol:	-190.11
Dipole, Da:	5.64
IP(EA), eV:	-8.89(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-bromo-3-(4-chlorobenzoyl)-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)NC(=O)C2=C(N=C(S2)Cl)C(F)(F)F

DOS

IR

Vibrations