Geometry & MOs

Info

ID:	383241
PubChem CID:	134974862
Reduced:	O3C14H24 (1)
Stoich.:	A3B14C24 (1)
Weight, g/mol:	523.218115
ΔH_f, kcal/mol:	-150.48
Dipole, Da:	0.82
IP(EA), eV:	-9.36(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-benzyl-3-hydroxy-4-phenylbutan-2-yl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)O[C@@H]1C[C@]2(COC[C@@](C1)(O2)CC=C)C

DOS

IR

Vibrations