Geometry & MOs

Info

ID:	55872
PubChem CID:	17396846
Reduced:	OS2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	348.02219
ΔH_f, kcal/mol:	18.71
Dipole, Da:	2.85
IP(EA), eV:	-8.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)CCCSC2=CC=CC=C2

DOS

IR

Vibrations