Geometry & MOs

Info

ID:	226088
PubChem CID:	87322647
Reduced:	N2O2S2F3H11C13 (1)
Stoich.:	A2B2C2D3E11F13 (1)
Weight, g/mol:	512.989469
ΔH_f, kcal/mol:	-214.92
Dipole, Da:	5.18
IP(EA), eV:	-9.37(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-5-methoxy-2-methyl-1-[5-(1,1,2,2,2-pentafluoroethylsulfanyl)thiophene-2-carbonyl]indol-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1CSC2(S1)C3=C(C=CC(=C3)C(F)(F)F)N(C2=O)CC(=O)N

DOS

IR

Vibrations