Geometry & MOs

Info

ID:	78381
PubChem CID:	49689314
Reduced:	ClO2N4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	388.136925
ΔH_f, kcal/mol:	-15.68
Dipole, Da:	6.36
IP(EA), eV:	-9.46(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)sulfanyl-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)/C=C/C2=CC=CC=C2Cl)C(=O)C3=NC=CN=C3

DOS

IR

Vibrations