Geometry & MOs

Info

ID:	157080
PubChem CID:	56422101
Reduced:	F3N3O4H16C19 (1)
Stoich.:	A3B3C4D16E19 (1)
Weight, g/mol:	471.130946
ΔH_f, kcal/mol:	-254.39
Dipole, Da:	3.72
IP(EA), eV:	-9.19(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)C(=O)NCCC(=O)OCC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations