Geometry & MOs

Info

ID:	157272
PubChem CID:	56422487
Reduced:	IN4O4H17C19 (1)
Stoich.:	AB4C4D17E19 (1)
Weight, g/mol:	414.109483
ΔH_f, kcal/mol:	-72.0
Dipole, Da:	7.02
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)C(=O)NCCC(=O)OCC(=O)NC3=CC=C(C=C3)I

DOS

IR

Vibrations