Geometry & MOs

Info

ID:	339049
PubChem CID:	127260060
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	310.073576
ΔH_f, kcal/mol:	-96.3
Dipole, Da:	6.77
IP(EA), eV:	-9.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-acetamido-6-amino-2H-pyrazin-5-yl) benzenesulfonate

Drug info:

PubChemData

Smile

CCC(CC/C=N/NS(=O)(=O)C1=CC=CC=C1)NC(=O)C

DOS

IR

Vibrations