Geometry & MOs

Info

ID:	179438
PubChem CID:	76483165
Reduced:	SN2O6C21H28 (1)
Stoich.:	AB2C6D21E28 (1)
Weight, g/mol:	482.27941
ΔH_f, kcal/mol:	-232.97
Dipole, Da:	7.78
IP(EA), eV:	-9.54(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-6-methylphenyl)-3-[(4-phenylphenyl)-(tetrazolidin-5-yl)methyl]-4-propylimidazol-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCC3N(C2=O)C(CS3=O)C(=O)O

DOS

IR

Vibrations