Geometry & MOs

Info

ID:	223522
PubChem CID:	85335173
Reduced:	Cl2O2N4C19H26 (1)
Stoich.:	A2B2C4D19E26 (1)
Weight, g/mol:	409.143568
ΔH_f, kcal/mol:	-52.32
Dipole, Da:	5.07
IP(EA), eV:	-9.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-4-methyl-2-[[2,2,2-trifluoro-1-(5-phenylthiophen-2-yl)ethyl]amino]pentanamide

Drug info:

PubChemData

Smile

COCCCCCN1C=NC2C1C(=O)NC(C2)NCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations