Geometry & MOs

Info

ID:	157273
PubChem CID:	56422489
Reduced:	ClN4O4H19C20 (1)
Stoich.:	AB4C4D19E20 (1)
Weight, g/mol:	458.15902
ΔH_f, kcal/mol:	-109.24
Dipole, Da:	3.2
IP(EA), eV:	-9.05(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenoxyanilino)ethyl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCNC(=O)C2=NNC3=CC=CC=C32)Cl

DOS

IR

Vibrations