Geometry & MOs

Info

ID:

421163

PubChem CID:

135115491

Reduced:

SO5N7C36H47 (1)

Stoich.:

AB5C7D36E47 (1)

Weight, g/mol:

341.210327

ΔHf, kcal/mol:

-162.99

Dipole, Da:

6.52

IP(EA), eV:

 -8.9(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aS,8aS)-7-(8-methoxyquinolin-2-yl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)CC4=CC=CC(=C4)C)C)C)C(C)C

DOS

IR

Vibrations