Geometry & MOs

Info

ID:	219081
PubChem CID:	85090459
Reduced:	SO5N6C26H40 (1)
Stoich.:	AB5C6D26E40 (1)
Weight, g/mol:	548.18012
ΔH_f, kcal/mol:	-192.55
Dipole, Da:	4.55
IP(EA), eV:	-8.79(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[tert-butyl(dimethyl)silyl]oxy-3-nitro-1-phenyl-3-phenylsulfanylpropan-2-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC3CCCC3)NC(=O)N4CCN(CC4)C

DOS

IR

Vibrations