Geometry & MOs

Info

ID:	44756
PubChem CID:	10505756
Reduced:	SN6O7C21H26 (1)
Stoich.:	AB6C7D21E26 (1)
Weight, g/mol:	506.215197
ΔH_f, kcal/mol:	-172.82
Dipole, Da:	7.84
IP(EA), eV:	-9.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetramethyl 3a,6a-dicyclopentyl-2,5-dioxo-1,3,4,6-tetrahydropentalene-1,3,4,6-tetracarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N[C@H](CNC(=O)C[C@H]2CC(=NO2)C3=CC=C(C=C3)C(=N)N)C(=O)OC

DOS

IR

Vibrations