Geometry & MOs

Info

ID:	60631
PubChem CID:	26697315
Reduced:	BrN2S2O3C16H23 (1)
Stoich.:	AB2C2D3E16F23 (1)
Weight, g/mol:	350.166414
ΔH_f, kcal/mol:	-113.91
Dipole, Da:	3.54
IP(EA), eV:	-8.97(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(cyclopentylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations