Geometry & MOs

Info

ID:	123165
PubChem CID:	50835995
Reduced:	FO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	442.186104
ΔH_f, kcal/mol:	-35.46
Dipole, Da:	6.54
IP(EA), eV:	-8.3(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanyl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=NC=CN=C2N3CCCC(C3)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations