Geometry & MOs

Info

ID:	390367
PubChem CID:	134998728
Reduced:	N2S2O4H14C19 (1)
Stoich.:	A2B2C4D14E19 (1)
Weight, g/mol:	532.155332
ΔH_f, kcal/mol:	30.09
Dipole, Da:	4.33
IP(EA), eV:	-9.98(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-[(3Z,6Z)-3,6-bis(2-trimethylsilylethylsulfonylimino)cyclohexa-1,4-dien-1-yl]but-3-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C=CC3=NS(=O)(=O)C4=CC=CC=C4C3=C2

DOS

IR

Vibrations