Geometry & MOs

Info

ID:

16970

PubChem CID:

481376

Reduced:

SO4N5C29H45 (1)

Stoich.:

AB4C5D29E45 (1)

Weight, g/mol:

559.319226

ΔHf, kcal/mol:

-149.15

Dipole, Da:

9.32

IP(EA), eV:

 -8.71(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxybutyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(CCN1CCN(C[C@H]1C(=O)NC(C)(C)C)CC2=CN=CC=C2)O)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations