Geometry & MOs

Info

ID:

422785

PubChem CID:

135118405

Reduced:

SO6N7C35H45 (1)

Stoich.:

AB6C7D35E45 (1)

Weight, g/mol:

369.115855

ΔHf, kcal/mol:

-223.42

Dipole, Da:

5.18

IP(EA), eV:

 -9.22(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-fluoro-N-methyl-5-sulfamoylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CCC2=NC3=CC=CC=C3S2)C)CC4=CC=CC=C4

DOS

IR

Vibrations