Geometry & MOs

Info

ID:	157326
PubChem CID:	56422884
Reduced:	FSO3N4H17C21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	-58.91
Dipole, Da:	5.24
IP(EA), eV:	-9.29(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclopentylamino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)C(=O)NCCC(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations