Geometry & MOs

Info

ID:	431531
PubChem CID:	135171617
Reduced:	SN3O5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	468.146741
ΔH_f, kcal/mol:	-171.04
Dipole, Da:	8.56
IP(EA), eV:	-8.05(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=CC(=C(C=C21)NS(=O)(=O)C)NCC3=CC=CC=C3)CC(=O)OC(C)(C)C

DOS

IR

Vibrations