Geometry & MOs

Info

ID:	154960
PubChem CID:	56314517
Reduced:	FSN4O4H21C24 (1)
Stoich.:	ABC4D4E21F24 (1)
Weight, g/mol:	415.136591
ΔH_f, kcal/mol:	-123.78
Dipole, Da:	7.0
IP(EA), eV:	-9.27(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dimethoxyphenyl)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=C(C=C(C=C2)F)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5CCCO5

DOS

IR

Vibrations