Geometry & MOs

Info

ID:	84237
PubChem CID:	49865089
Reduced:	F2O3N5C19H21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-149.13
Dipole, Da:	2.77
IP(EA), eV:	-8.78(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1([C@H](O[C@@H]([C@]1(C)F)N2C=NC3=C(N=CN=C32)NCC4=CC=C(C=C4)F)CO)O

DOS

IR

Vibrations