Geometry & MOs

Info

ID:	199206
PubChem CID:	79215511
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-5.01
Dipole, Da:	3.97
IP(EA), eV:	-8.98(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpentan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C#N)NC(=O)C1=CC=CC=C1SC

DOS

IR

Vibrations