Geometry & MOs

Info

ID:	125571
PubChem CID:	50928799
Reduced:	BrN3O4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	403.073512
ΔH_f, kcal/mol:	-79.47
Dipole, Da:	7.43
IP(EA), eV:	-8.89(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C=CN(C(=O)C2=O)CC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations