Geometry & MOs

Info

ID:

127127

PubChem CID:

50991873

Reduced:

SCl2O4N5C27H37 (1)

Stoich.:

AB2C4D5E27F37 (1)

Weight, g/mol:

541.131731

ΔHf, kcal/mol:

-164.51

Dipole, Da:

3.69

IP(EA), eV:

 -8.78(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3R)-N-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyridin-2-yl]pyridin-2-yl]-3-(methanesulfonamido)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1CCCC(C1)C(=O)NC2=NC=C(C(=C2)C3=C(C=CC(=N3)NC[C@@H]4CCOC(C4)(C)C)Cl)Cl

DOS

IR

Vibrations