Geometry & MOs

Info

ID:	378793
PubChem CID:	134224893
Reduced:	SO3N7C15H17 (1)
Stoich.:	AB3C7D15E17 (1)
Weight, g/mol:	429.123718
ΔH_f, kcal/mol:	-12.15
Dipole, Da:	5.63
IP(EA), eV:	-9.13(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-cyano-3-(2-fluoropyridin-4-yl)-5-phenylpyrazin-2-yl]amino]-3-(furan-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC(C1)(CC(=O)N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

DOS

IR

Vibrations