Geometry & MOs

Info

ID:	391921
PubChem CID:	135011011
Reduced:	NSO3H19C22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	418.185235
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	6.89
IP(EA), eV:	-8.51(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,3aR,4S,6aR)-5-[(2,4-dinitrophenyl)hydrazinylidene]-1,3a,4,6a-tetramethyl-2,3,4,6-tetrahydro-1H-pentalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=CC(=CC=C4)OC

DOS

IR

Vibrations