Geometry & MOs

Info

ID:	157176
PubChem CID:	56422225
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	449.133533
ΔH_f, kcal/mol:	-78.64
Dipole, Da:	7.76
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)CCNC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations