Geometry & MOs

Info

ID:	431386
PubChem CID:	135171461
Reduced:	ClSO2N4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	377.120941
ΔH_f, kcal/mol:	-15.09
Dipole, Da:	7.54
IP(EA), eV:	-8.94(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxypyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1C[C@H]2COC[C@@H]1N2C3=NC(=CS3)N4C=C(N=C4CO)Cl

DOS

IR

Vibrations