Geometry & MOs

Info

ID:	187908
PubChem CID:	77642069
Reduced:	ClSN4O6C24H27 (1)
Stoich.:	ABC4D6E24F27 (1)
Weight, g/mol:	326.146998
ΔH_f, kcal/mol:	-202.71
Dipole, Da:	1.52
IP(EA), eV:	-9.52(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;3-cycloheptylcycloheptane-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC(C(=O)N1CC2CC1CO2)C3(CCNC3=O)N(CC(=O)N)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

DOS

IR

Vibrations