Geometry & MOs

Info

ID:

416140

PubChem CID:

135089148

Reduced:

S2O6N9C39H45 (1)

Stoich.:

A2B6C9D39E45 (1)

Weight, g/mol:

371.140055

ΔHf, kcal/mol:

-139.95

Dipole, Da:

10.83

IP(EA), eV:

 -8.26(-1.42)

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]-8-chloro-N,2-dimethylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CC6=C(C=C5)SC=N6)C

DOS

IR

Vibrations