Geometry & MOs

Info

ID:	431503
PubChem CID:	135171584
Reduced:	ClSO2N5C17H18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	391.136591
ΔH_f, kcal/mol:	26.16
Dipole, Da:	7.4
IP(EA), eV:	-8.76(-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]-(3-methylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1COC2=C(C=C(C=N2)NSC3=C(N=CC(=C3)Cl)OC)C(=N1)/C=C\N

DOS

IR

Vibrations