Geometry & MOs

Info

ID:	144115
PubChem CID:	53314087
Reduced:	ClSO2N7C28H29 (1)
Stoich.:	ABC2D7E28F29 (1)
Weight, g/mol:	358.13223
ΔH_f, kcal/mol:	141.78
Dipole, Da:	5.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756792
Charge, e:	-1

Chem-info

IUPAC name:

2-(4-ethoxyanilino)-1-(2-phenylethyl)-4H-imidazol-5-one;chloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C2=NN=NN2CC3=CC=CC=C3)N4CCN(CC4)C5=NC6=CC=CC=C6S5)OC.[Cl-]

DOS

IR

Vibrations