Geometry & MOs

Info

ID:	157074
PubChem CID:	56422093
Reduced:	SN4O4H20C22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	499.185569
ΔH_f, kcal/mol:	-50.16
Dipole, Da:	4.35
IP(EA), eV:	-8.89(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC(=CS2)COC(=O)CCNC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations