Geometry & MOs

Info

ID:	182418
PubChem CID:	76887547
Reduced:	BrOSN3C12H14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	2.82
Dipole, Da:	3.87
IP(EA), eV:	-9.17(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC1=C(C=C(C=C1)C#N)Br)N

DOS

IR

Vibrations