Geometry & MOs

Info

ID:	157173
PubChem CID:	56422221
Reduced:	N2S2O8C17H24 (1)
Stoich.:	A2B2C8D17E24 (1)
Weight, g/mol:	465.201219
ΔH_f, kcal/mol:	-299.0
Dipole, Da:	3.91
IP(EA), eV:	-9.03(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)CCSCC(=O)OC

DOS

IR

Vibrations