Geometry & MOs

Info

ID:	36848
PubChem CID:	8013736
Reduced:	NO6C24H31 (1)
Stoich.:	AB6C24D31 (1)
Weight, g/mol:	408.075548
ΔH_f, kcal/mol:	-228.72
Dipole, Da:	2.95
IP(EA), eV:	-8.85(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)OC(=O)CC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations