Geometry & MOs

Info

ID:	425639
PubChem CID:	135127059
Reduced:	SO2N3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	337.118632
ΔH_f, kcal/mol:	-20.56
Dipole, Da:	3.22
IP(EA), eV:	-8.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1S)-1-carboxy-2-(1,2,4-triazol-1-yl)ethyl]hydrazinyl]-3-(2-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC2C(=NSN2)C(=C1)CC(C(=O)O)N

DOS

IR

Vibrations