Geometry & MOs

Info

ID:	143717
PubChem CID:	53252477
Reduced:	SN4O4C29H32 (1)
Stoich.:	AB4C4D29E32 (1)
Weight, g/mol:	354.140199
ΔH_f, kcal/mol:	-81.75
Dipole, Da:	5.83
IP(EA), eV:	-7.94(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[4-(1-benzofuran-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)NC(=C3)C4CCN(CC4)C(=O)[C@H](CC5=CC=CS5)N)OC

DOS

IR

Vibrations