Geometry & MOs

Info

ID:	157083
PubChem CID:	56422105
Reduced:	ClO4N5H16C20 (1)
Stoich.:	AB4C5D16E20 (1)
Weight, g/mol:	428.125133
ΔH_f, kcal/mol:	-38.32
Dipole, Da:	5.65
IP(EA), eV:	-9.3(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)C(=O)NCCC(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations