Geometry & MOs

Info

ID:	227563
PubChem CID:	87561995
Reduced:	SN2O3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	743.169525
ΔH_f, kcal/mol:	-41.08
Dipole, Da:	3.49
IP(EA), eV:	-8.85(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-pyridin-3-ylsulfamoyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=S)C3=C(O2)C=CC(=C3)OCC(=O)NCCN

DOS

IR

Vibrations