Geometry & MOs

Info

ID:	178581
PubChem CID:	76353164
Reduced:	SCl2N2O3C20H22 (1)
Stoich.:	AB2C2D3E20F22 (1)
Weight, g/mol:	472.081696
ΔH_f, kcal/mol:	-71.59
Dipole, Da:	3.2
IP(EA), eV:	-9.09(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-indol-3-yl)-1-oxo-1-[[2-oxo-5-(trifluoromethyl)pyridin-3-ylidene]amino]propan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNS(=O)(=O)C=CC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations