Geometry & MOs

Info

ID:	67613
PubChem CID:	46506816
Reduced:	ClFO2N3H23C24 (1)
Stoich.:	ABC2D3E23F24 (1)
Weight, g/mol:	403.055754
ΔH_f, kcal/mol:	-79.69
Dipole, Da:	2.88
IP(EA), eV:	-9.21(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-fluorophenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)CN2C3=C(C=C(C=C3)Cl)C(=NC2=O)C4=CC=CC=C4F

DOS

IR

Vibrations