Geometry & MOs

Info

ID:	17699
PubChem CID:	512853
Reduced:	SN2O3C26H40 (1)
Stoich.:	AB2C3D26E40 (1)
Weight, g/mol:	460.275964
ΔH_f, kcal/mol:	-174.05
Dipole, Da:	5.4
IP(EA), eV:	-9.14(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCCCN1C(=O)CC(C1=O)SCCNC(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations