Geometry & MOs

Info

ID:	157331
PubChem CID:	56422890
Reduced:	FN2O2H9C10 (2)
Stoich.:	AB2C2D9E10 (2)
Weight, g/mol:	416.129611
ΔH_f, kcal/mol:	-187.41
Dipole, Da:	7.66
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)F)F)OC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations