Geometry & MOs

Info

ID:	180231
PubChem CID:	76602335
Reduced:	N2S2O6C23H24 (1)
Stoich.:	A2B2C6D23E24 (1)
Weight, g/mol:	568.091376
ΔH_f, kcal/mol:	-161.42
Dipole, Da:	2.96
IP(EA), eV:	-9.32(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(1-benzothiophen-2-yl)-5-(2,3,4,5,6-pentafluorophenoxy)pentylidene]amino]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(COC)OC1=CC(=CC(=C1)OCC2=CC=CC=C2)C(=O)NC3=NC=C(S3)SCC(=O)O

DOS

IR

Vibrations