Geometry & MOs

Info

ID:	157321
PubChem CID:	56422878
Reduced:	N4O4H18C21 (1)
Stoich.:	A4B4C18D21 (1)
Weight, g/mol:	478.00435
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	6.66
IP(EA), eV:	-9.34(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=C2)COC(=O)CCNC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations