Geometry & MOs

Info

ID:	180838
PubChem CID:	76693065
Reduced:	NO2C26H39 (1)
Stoich.:	AB2C26D39 (1)
Weight, g/mol:	475.177707
ΔH_f, kcal/mol:	-61.41
Dipole, Da:	1.82
IP(EA), eV:	-9.43(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2,5-dioxo-1-(4-oxonon-6-enyl)pyrrolidin-3-yl]sulfanyl-2-(pyridine-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NC(C)C(=O)C

DOS

IR

Vibrations