Geometry & MOs

Info

ID:	60634
PubChem CID:	26697318
Reduced:	N2S2O3C16H24 (1)
Stoich.:	A2B2C3D16E24 (1)
Weight, g/mol:	334.171499
ΔH_f, kcal/mol:	-117.79
Dipole, Da:	2.96
IP(EA), eV:	-8.69(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(cyclopentylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NC1CCCC1)NS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations