Geometry & MOs

Info

ID:	66109
PubChem CID:	46493488
Reduced:	SN3O5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	449.04088
ΔH_f, kcal/mol:	-143.38
Dipole, Da:	7.04
IP(EA), eV:	-8.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NC2=NC(=CS2)CC(=O)NC3=CC4=C(C=C3)OC5(O4)CCCCC5

DOS

IR

Vibrations