Geometry & MOs

Info

ID:	46842
PubChem CID:	10527782
Reduced:	O2F7C22H27 (1)
Stoich.:	A2B7C22D27 (1)
Weight, g/mol:	456.135508
ΔH_f, kcal/mol:	-469.43
Dipole, Da:	3.56
IP(EA), eV:	-9.91(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-(4-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

C[C@]12CC[C@](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)(C(C(C(F)(F)F)(F)F)(F)F)O

DOS

IR

Vibrations