Geometry & MOs

Info

ID:	431707
PubChem CID:	135171803
Reduced:	PSN2O9C22H33 (1)
Stoich.:	ABC2D9E22F33 (1)
Weight, g/mol:	472.166808
ΔH_f, kcal/mol:	-433.5
Dipole, Da:	5.0
IP(EA), eV:	-8.33(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP(=O)(COC1=C(C=C2C(=C1)N(C=C2C(=O)C)CC(=O)OC(C)(C)C)NS(=O)(=O)C)OCC

DOS

IR

Vibrations