Geometry & MOs

Info

ID:	205171
PubChem CID:	80063608
Reduced:	FSN2H9C15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	276.16602
ΔH_f, kcal/mol:	54.25
Dipole, Da:	3.57
IP(EA), eV:	-8.75(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-2-ylsulfanyl)ethyl]-3,3-dimethylbutan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2)SC3=CC=CC(=C3C#N)F

DOS

IR

Vibrations