Geometry & MOs

Info

ID:	431708
PubChem CID:	135171804
Reduced:	SN2O6C24H28 (1)
Stoich.:	AB2C6D24E28 (1)
Weight, g/mol:	382.119858
ΔH_f, kcal/mol:	-209.2
Dipole, Da:	10.54
IP(EA), eV:	-8.23(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-6-hydroxy-5-(methanesulfonamido)indol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=CC(=C(C=C21)NS(=O)(=O)C)OCC3=CC=CC=C3)CC(=O)OC(C)(C)C

DOS

IR

Vibrations