Geometry & MOs

Info

ID:	310628
PubChem CID:	126583985
Reduced:	ClFSO2N3C16H17 (1)
Stoich.:	ABCD2E3F16G17 (1)
Weight, g/mol:	405.115855
ΔH_f, kcal/mol:	-77.88
Dipole, Da:	7.05
IP(EA), eV:	-8.83(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(6-fluoro-1H-indol-3-yl)-2-(hydroxymethyl)phenyl]sulfonylamino]-N-methylpropanamide

Drug info:

PubChemData

Smile

C1C(C2=C(N1)C=C(C=C2)F)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCCN

DOS

IR

Vibrations