Geometry & MOs

Info

ID:	449607
PubChem CID:	135300027
Reduced:	ClSN6H21C23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	331.132077
ΔH_f, kcal/mol:	171.32
Dipole, Da:	5.38
IP(EA), eV:	-8.56(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-benzyl-5-phenylpyrazin-2-yl)amino]prop-2-enoic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=N)N(C2=C(C(=C(S2)C#CC3=CN=CN3C)C)C(=N1)C4=CC=C(C=C4)Cl)C(=N)C

DOS

IR

Vibrations