Geometry & MOs

Info

ID:	417101
PubChem CID:	135091370
Reduced:	ClFO2N3C16H17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	294.120213
ΔH_f, kcal/mol:	-94.31
Dipole, Da:	5.6
IP(EA), eV:	-9.66(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-propylsulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC(=CC(=C3)Cl)F

DOS

IR

Vibrations