Geometry & MOs

Info

ID:	161153
PubChem CID:	57390900
Reduced:	N3O4H23C28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	415.074885
ΔH_f, kcal/mol:	12.66
Dipole, Da:	4.26
IP(EA), eV:	-8.35(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N(CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations