Geometry & MOs

Info

ID:	49528
PubChem CID:	11533188
Reduced:	SCl2O2N5H17C22 (1)
Stoich.:	AB2C2D5E17F22 (1)
Weight, g/mol:	486.131503
ΔH_f, kcal/mol:	25.83
Dipole, Da:	5.46
IP(EA), eV:	-8.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-4-methoxy-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=CC(=NN2C3=CC=C(C=C3)CC(=O)N)C4=CSC=C4

DOS

IR

Vibrations