Geometry & MOs

Info

ID:	84206
PubChem CID:	49865032
Reduced:	FO3N5C16H22 (1)
Stoich.:	AB3C5D16E22 (1)
Weight, g/mol:	342.103814
ΔH_f, kcal/mol:	-125.89
Dipole, Da:	2.09
IP(EA), eV:	-8.77(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(imidazol-1-ylmethyl)phenyl] 4-ethylbenzenesulfonate

Drug info:

PubChemData

Smile

C[C@@]1([C@H](O[C@@H]([C@]1(C)F)N2C=NC3=C(N=CN=C32)NC4CCC4)CO)O

DOS

IR

Vibrations