Geometry & MOs

Info

ID:	330758
PubChem CID:	127248165
Reduced:	FSO2N4C20H27 (1)
Stoich.:	ABC2D4E20F27 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-96.69
Dipole, Da:	5.02
IP(EA), eV:	-8.75(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(4-methoxyanilino)-6-methylpyridin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CCC(C1)C2=NC(=CC(=C2)NC3=CC=C(C=C3)F)C

DOS

IR

Vibrations