Geometry & MOs

Info

ID:	387417
PubChem CID:	134985297
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	486.200216
ΔH_f, kcal/mol:	-31.12
Dipole, Da:	5.29
IP(EA), eV:	-9.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-benzyl 2-O-tert-butyl 5-O,6-O-dimethyl 1,4,4a,7-tetrahydrophthalazine-2,3,5,6-tetracarboxylate

Drug info:

PubChemData

Smile

C1CC1N2CC(NS2(=O)=O)CC3=CC=CC=C3

DOS

IR

Vibrations