Geometry & MOs

Info

ID:	50711
PubChem CID:	12013290
Reduced:	SN2O2H14C18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	318.085826
ΔH_f, kcal/mol:	73.36
Dipole, Da:	6.46
IP(EA), eV:	-8.24(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-trimethylsilylethynyl)cyclohepta[b]pyrrol-2-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C2=CC=CC=CC2=N1)C#CC3=CC=CC=C3

DOS

IR

Vibrations