Geometry & MOs

Info

ID:	310694
PubChem CID:	126584350
Reduced:	FNSC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	343.115462
ΔH_f, kcal/mol:	4.41
Dipole, Da:	2.84
IP(EA), eV:	-8.28(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfanyl-methylamino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=C)C2=CC=C(C=C2)SN3CCCC3

DOS

IR

Vibrations