Geometry & MOs

Info

ID:	133004
PubChem CID:	51460488
Reduced:	Cl2N2O2H18C23 (1)
Stoich.:	A2B2C2D18E23 (1)
Weight, g/mol:	448.148416
ΔH_f, kcal/mol:	14.71
Dipole, Da:	4.15
IP(EA), eV:	-8.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(4R)-4-[(4-tert-butylbenzoyl)amino]-1-(2-methoxyphenyl)-5-oxo-4-(trifluoromethyl)imidazol-2-olate

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1O[C@H](N3[C@@H]2CC(=N3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations