Geometry & MOs

Info

ID:

160960

PubChem CID:

57390369

Reduced:

NS2O6C31H37 (1)

Stoich.:

AB2C6D31E37 (1)

Weight, g/mol:

494.151469

ΔHf, kcal/mol:

-206.4

Dipole, Da:

3.17

IP(EA), eV:

 -8.65(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(1R)-1-(benzenesulfonamido)-2-[[4-(2-piperidin-4-ylethoxy)benzoyl]amino]ethyl]-hydroxy-oxophosphanium

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)SCC(=O)[C@]2(CC[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)O)C)OC(=O)C6=CC=CO6)C

DOS

IR

Vibrations