Geometry & MOs

Info

ID:

16966

PubChem CID:

481318

Reduced:

N2S2O7C27H40 (1)

Stoich.:

A2B2C7D27E40 (1)

Weight, g/mol:

568.227694

ΔHf, kcal/mol:

-287.62

Dipole, Da:

6.97

IP(EA), eV:

 -9.09(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(cyclopentylmethyl)-4-hydroxy-N-[(3S)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H](CCN(CC1CCCC1)S(=O)(=O)C2=CC=C(C=C2)O)O)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations