Geometry & MOs

Info

ID:	162358
PubChem CID:	57394421
Reduced:	ClFON7C13H13 (1)
Stoich.:	ABCD7E13F13 (1)
Weight, g/mol:	447.064714
ΔH_f, kcal/mol:	-10.41
Dipole, Da:	2.32
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(2-benzylsulfonylethylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N)F

DOS

IR

Vibrations