Geometry & MOs

Info

ID:	59771
PubChem CID:	24896525
Reduced:	Cl2N2F3O4H21C27 (1)
Stoich.:	A2B2C3D4E21F27 (1)
Weight, g/mol:	469.164697
ΔH_f, kcal/mol:	-232.07
Dipole, Da:	5.79
IP(EA), eV:	-9.65(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-pentoxy-4-pyridin-4-yl-3-(trifluoromethyl)-1,3-thiazolidin-2-yl]-N-phenylcarbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NOC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)N(CC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations