Geometry & MOs

Info

ID:

16971

PubChem CID:

481386

Reduced:

SN2O4C31H40 (1)

Stoich.:

AB2C4D31E40 (1)

Weight, g/mol:

536.270879

ΔHf, kcal/mol:

-121.78

Dipole, Da:

9.39

IP(EA), eV:

 -8.77(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R,4S)-4-benzyl-2-hydroxy-5-[[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]pentyl]-N-(2-methylpropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)CN(C[C@@H](C[C@H](CC1=CC=CC=C1)CN[C@H]2CC3=CC=CC=C3[C@H]2O)O)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations