Geometry & MOs

Info

ID:	441567
PubChem CID:	135236251
Reduced:	BrFSN3O4H25C26 (1)
Stoich.:	ABCD3E4F25G26 (1)
Weight, g/mol:	474.097346
ΔH_f, kcal/mol:	-128.07
Dipole, Da:	3.63
IP(EA), eV:	-8.93(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(methanesulfonamido)-1-[3-[3-(trifluoromethyl)pyridin-2-yl]phenyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)F)C2=CC(=CC(=C2)Br)N3C4=CC(=C(C=C4C=C3C(=O)N)OC)NS(=O)(=O)C

DOS

IR

Vibrations