Geometry & MOs

Info

ID:	228966
PubChem CID:	87566479
Reduced:	SF3N4O5C19H27 (1)
Stoich.:	AB3C4D5E19F27 (1)
Weight, g/mol:	461.07324
ΔH_f, kcal/mol:	-335.77
Dipole, Da:	7.33
IP(EA), eV:	-9.15(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(6-bromopyridin-2-yl)-2-(cyclopentylamino)propanamide;2-methylsulfonyliminoacetamide

Drug info:

PubChemData

Smile

CCOC(=O)CCCCN1C=C(N=N1)/C=C/2\CNCCC2SC(=O)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations