Geometry & MOs

Info

ID:	157330
PubChem CID:	56422888
Reduced:	N2O3C11H11 (2)
Stoich.:	A2B3C11D11 (2)
Weight, g/mol:	416.129611
ΔH_f, kcal/mol:	-168.57
Dipole, Da:	6.2
IP(EA), eV:	-8.35(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)CCNC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations