Geometry & MOs

Info

ID:	441555
PubChem CID:	135236129
Reduced:	BrSF3N3O5H27C28 (1)
Stoich.:	ABC3D3E5F27G28 (1)
Weight, g/mol:	498.097346
ΔH_f, kcal/mol:	-300.51
Dipole, Da:	3.63
IP(EA), eV:	-8.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1)C(C)(C)C2=CC(=CC(=C2)Br)N3C(=CC4=C3C=C(C=C4)NS(=O)(=O)C)C(=O)N)OC(F)(F)F

DOS

IR

Vibrations