Geometry & MOs

Info

ID:	299365
PubChem CID:	117682737
Reduced:	SN3O3C11H17 (1)
Stoich.:	AB3C3D11E17 (1)
Weight, g/mol:	628.234905
ΔH_f, kcal/mol:	-108.08
Dipole, Da:	1.95
IP(EA), eV:	-9.2(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N,N'-bis[1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]pentanediamide

Drug info:

PubChemData

Smile

CC(NC)NC(=O)CCN1C(=O)C=C(C1=O)SC

DOS

IR

Vibrations