Geometry & MOs

Info

ID:	144363
PubChem CID:	53355350
Reduced:	O7C22H28 (1)
Stoich.:	A7B22C28 (1)
Weight, g/mol:	445.00171
ΔH_f, kcal/mol:	-296.2
Dipole, Da:	1.66
IP(EA), eV:	-10.11(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R)-4-(benzenesulfinyl)-1-bromo-3-hydroxybutan-2-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CCC([C@@H]2[C@]13[C@@H]4CC[C@@H]5[C@H]6[C@]4(C(=O)C5=C)[C@]([C@H]2O)(OC3O6)O)(C)C

DOS

IR

Vibrations