Geometry & MOs

Info

ID:

16642

PubChem CID:

474322

Reduced:

SN3O5C32H45 (1)

Stoich.:

AB3C5D32E45 (1)

Weight, g/mol:

583.307993

ΔHf, kcal/mol:

-199.54

Dipole, Da:

6.43

IP(EA), eV:

 -8.85(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-[(3S)-3-benzyl-5-oxo-1,4-diazaspiro[5.5]undecan-4-yl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)C[C@H](CN3[C@H](CNC4(C3=O)CCCCC4)CC5=CC=CC=C5)O

DOS

IR

Vibrations