Geometry & MOs

Info

ID:	49553
PubChem CID:	11533232
Reduced:	ZrCl2N2O4C18H20 (1)
Stoich.:	AB2C2D4E18F20 (1)
Weight, g/mol:	488.172065
ΔH_f, kcal/mol:	-201.68
Dipole, Da:	6.74
IP(EA), eV:	-7.26(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-2H-tetrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

Drug info:

PubChemData

Smile

COC1=C/C(=C/NCCN/C=C/2\C(=O)C=CC(=C2)OC)/C(=O)C=C1.Cl[Zr]Cl

DOS

IR

Vibrations