Geometry & MOs

Info

ID:	177067
PubChem CID:	76132272
Reduced:	Cl2N3O4C33H33 (1)
Stoich.:	A2B3C4D33E33 (1)
Weight, g/mol:	348.09662
ΔH_f, kcal/mol:	-56.62
Dipole, Da:	6.32
IP(EA), eV:	-8.82(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl)-2-benzyl-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=CCN2CCC3=C(C2)C=CC(=C3)OCC4COC(O4)(CN5C=CN=C5)C6=C(C=C(C=C6)Cl)Cl

DOS

IR

Vibrations