Geometry & MOs

Info

ID:	157081
PubChem CID:	56422102
Reduced:	ClN5O5C22H22 (1)
Stoich.:	AB5C5D22E22 (1)
Weight, g/mol:	425.133533
ΔH_f, kcal/mol:	-135.07
Dipole, Da:	3.82
IP(EA), eV:	-9.2(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations