Geometry & MOs

Info

ID:	157322
PubChem CID:	56422879
Reduced:	BrClN4O4H16C19 (1)
Stoich.:	ABC4D4E16F19 (1)
Weight, g/mol:	423.154269
ΔH_f, kcal/mol:	-93.67
Dipole, Da:	7.74
IP(EA), eV:	-9.05(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(benzylcarbamoylamino)-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=C(C=C(C=C3)Br)Cl

DOS

IR

Vibrations