Geometry & MOs

Info

ID:	16863
PubChem CID:	477878
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	11.59
Dipole, Da:	4.41
IP(EA), eV:	-9.19(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylpropyl)-6-phenylsulfanylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC1=NC=C(N=C1SC2=CC=CC=C2)C(=O)N

DOS

IR

Vibrations