Geometry & MOs

Info

ID:	142076
PubChem CID:	52977097
Reduced:	SN2O2Cl3H21C22 (1)
Stoich.:	AB2C2D3E21F22 (1)
Weight, g/mol:	476.161958
ΔH_f, kcal/mol:	-52.21
Dipole, Da:	3.76
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(18-thia-2-aza-9-azoniatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),12(17)-trien-10-ylidene)-2-[3-(trifluoromethyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CN1C2CCC(CC2SC1=NC(=O)C3=CC=CC=C3OCC4=C(C=C(C=C4)Cl)Cl)Cl

DOS

IR

Vibrations