Geometry & MOs

Info

ID:	276499
PubChem CID:	103823878
Reduced:	BrSO3N5C9H10 (1)
Stoich.:	ABC3D5E9F10 (1)
Weight, g/mol:	292.160935
ΔH_f, kcal/mol:	-21.55
Dipole, Da:	3.27
IP(EA), eV:	-9.46(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(3-ethylsulfanylcyclopentyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1S(=O)(=O)NCCC2=NC=NO2)N)Br

DOS

IR

Vibrations