Geometry & MOs

Info

ID:	176401
PubChem CID:	76044658
Reduced:	SN2O2H28C31 (1)
Stoich.:	AB2C2D28E31 (1)
Weight, g/mol:	628.239579
ΔH_f, kcal/mol:	55.84
Dipole, Da:	1.95
IP(EA), eV:	-8.44(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(tert-butylsulfinylamino)-2-oxo-1-tritylindol-3-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)N=C1C2=CC=CC=C2N(C1=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations