Geometry & MOs

Info

ID:	182416
PubChem CID:	76887456
Reduced:	OS2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	324.133006
ΔH_f, kcal/mol:	9.03
Dipole, Da:	2.98
IP(EA), eV:	-8.85(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(4-cyclopentylsulfanylphenyl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC1=CC=C(C=C1)C2=NC=CS2)N

DOS

IR

Vibrations