Geometry & MOs

Info

ID:	36594
PubChem CID:	8009345
Reduced:	OSN2F3H11C20 (1)
Stoich.:	ABC2D3E11F20 (1)
Weight, g/mol:	302.126657
ΔH_f, kcal/mol:	-65.5
Dipole, Da:	5.06
IP(EA), eV:	-9.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)NC3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations