Geometry & MOs

Info

ID:	404037
PubChem CID:	135064681
Reduced:	NPO3C23H28 (1)
Stoich.:	ABC3D23E28 (1)
Weight, g/mol:	409.147843
ΔH_f, kcal/mol:	-114.91
Dipole, Da:	9.32
IP(EA), eV:	-9.52(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R)-1-(3-chlorophenyl)-2-(hydroxymethyl)heptyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCC[C@@](C)([C@H]1C=CC(=O)O1)NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations