Geometry & MOs

Info

ID:	49451
PubChem CID:	11533040
Reduced:	SO3N4C26H28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	476.143964
ΔH_f, kcal/mol:	-19.16
Dipole, Da:	8.3
IP(EA), eV:	-8.65(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[(2S)-1-(benzenesulfonyl)-3-methylidene-2H-indol-2-yl]-2-[[(R)-tert-butylsulfinyl]amino]acetate

Drug info:

PubChemData

Smile

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC5=C(CC4(C3)CC6=CC=CC=C6)C=NN5

DOS

IR

Vibrations