Geometry & MOs

Info

ID:	242798
PubChem CID:	99206373
Reduced:	BrSO2N4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	-23.17
Dipole, Da:	8.61
IP(EA), eV:	-8.91(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=NC=C(C=C2)Br)C(=O)CSCC3=CC=NC=C3

DOS

IR

Vibrations