Geometry & MOs

Info

ID:	157077
PubChem CID:	56422096
Reduced:	N4O5H20C22 (1)
Stoich.:	A4B5C20D22 (1)
Weight, g/mol:	400.120526
ΔH_f, kcal/mol:	-121.96
Dipole, Da:	5.8
IP(EA), eV:	-9.24(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCOC(=O)CCNC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations