Geometry & MOs

Info

ID:	270163
PubChem CID:	103630902
Reduced:	OSN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	303.065318
ΔH_f, kcal/mol:	7.06
Dipole, Da:	4.84
IP(EA), eV:	-8.28(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=O)C2=CNC3=C2C=CC(=C3)N

DOS

IR

Vibrations