Geometry & MOs

Info

ID:	201163
PubChem CID:	79499133
Reduced:	O2S2N5C11H19 (1)
Stoich.:	A2B2C5D11E19 (1)
Weight, g/mol:	285.12774
ΔH_f, kcal/mol:	-40.78
Dipole, Da:	5.33
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-1-(4-fluorophenyl)-5-methyl-4H-imidazol-5-yl]phenol

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)NC2=C(C=NN2C)C(=S)N

DOS

IR

Vibrations