Geometry & MOs

Info

ID:	16967
PubChem CID:	481324
Reduced:	SN2O4C27H42 (1)
Stoich.:	AB2C4D27E42 (1)
Weight, g/mol:	490.286529
ΔH_f, kcal/mol:	-162.49
Dipole, Da:	8.98
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,4R)-4-benzyl-2-hydroxy-5-(2-methylpropylamino)pentyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)CNC[C@H](CC1=CC=CC=C1)C[C@@H](CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)OC)O

DOS

IR

Vibrations