Geometry & MOs

Info

ID:	157174
PubChem CID:	56422222
Reduced:	N5O5C24H27 (1)
Stoich.:	A5B5C24D27 (1)
Weight, g/mol:	452.169585
ΔH_f, kcal/mol:	-140.17
Dipole, Da:	7.41
IP(EA), eV:	-9.21(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations