Geometry & MOs

Info

ID:	33489
PubChem CID:	7886713
Reduced:	OS2N5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	66.27
Dipole, Da:	2.7
IP(EA), eV:	-8.92(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)N(CCC#N)CCC#N

DOS

IR

Vibrations