Geometry & MOs

Info

ID:

415746

PubChem CID:

135088746

Reduced:

SN7O8C37H47 (1)

Stoich.:

AB7C8D37E47 (1)

Weight, g/mol:

322.205656

ΔHf, kcal/mol:

-274.26

Dipole, Da:

9.81

IP(EA), eV:

 -8.95(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[(2-fluoro-6-methoxyphenyl)methyl]-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)C(=O)C4=CC(=C(C=C4)OC)OC)C)C)C(C)C

DOS

IR

Vibrations