Geometry & MOs

Info

ID:	84238
PubChem CID:	49865090
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	384.150764
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	7.73
IP(EA), eV:	-9.18(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CN3C=CN=C3

DOS

IR

Vibrations