Geometry & MOs

Info

ID:	56364
PubChem CID:	17425185
Reduced:	O3N5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	12.77
Dipole, Da:	6.98
IP(EA), eV:	-9.11(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-cyclopentylpropanamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCC1=CC=CO1)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations