Geometry & MOs

Info

ID:	133150
PubChem CID:	51485092
Reduced:	ClSN4O5C21H21 (1)
Stoich.:	ABC4D5E21F21 (1)
Weight, g/mol:	416.109625
ΔH_f, kcal/mol:	-137.76
Dipole, Da:	5.39
IP(EA), eV:	-9.27(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)Cl)COC(=O)C3=CSC(=N3)NCC=C

DOS

IR

Vibrations