Geometry & MOs

Info

ID:	21180
PubChem CID:	587474
Reduced:	ClSF3N3O3H17C20 (1)
Stoich.:	ABC3D3E3F17G20 (1)
Weight, g/mol:	471.063125
ΔH_f, kcal/mol:	-210.03
Dipole, Da:	7.3
IP(EA), eV:	-8.87(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-chlorobenzoyl)amino]-2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3,3,3-trifluoropropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCC2)C#N)NC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations