Geometry & MOs

Info

ID:	431709
PubChem CID:	135171805
Reduced:	SN2O6C17H22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	424.130422
ΔH_f, kcal/mol:	-238.64
Dipole, Da:	10.16
IP(EA), eV:	-8.36(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations