Geometry & MOs

Info

ID:	132522
PubChem CID:	51374626
Reduced:	N2S2O3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	319.161052
ΔH_f, kcal/mol:	-55.89
Dipole, Da:	2.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.068800
Charge, e:	1

Chem-info

IUPAC name:

2-[(1S)-cyclohex-3-en-1-yl]-5-(4-fluorophenyl)-4-phenyl-1H-imidazol-3-ium

Drug info:

PubChemData

Smile

CC1=C(SC=C1)[C@H]2/C(=C(/[O-])\OC)/C(=NC(=S)N2C(=O)C)C

DOS

IR

Vibrations