Geometry & MOs

Info

ID:	231803
PubChem CID:	87574686
Reduced:	ClNO4C18H22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	414.073301
ΔH_f, kcal/mol:	-161.46
Dipole, Da:	5.53
IP(EA), eV:	-10.05(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,5-dioxopyrrol-1-yl)-1-methoxycarbonylcyclohexyl]-2,5-dioxopyrrolidine-3-sulfonic acid

Drug info:

PubChemData

Smile

CCCCC1CC(CCN1C(=O)O)C(=O)C2=C(C=CC(=C2)Cl)C=O

DOS

IR

Vibrations