Geometry & MOs

Info

ID:

415986

PubChem CID:

135088991

Reduced:

FN5O6C37H44 (1)

Stoich.:

AB5C6D37E44 (1)

Weight, g/mol:

364.137612

ΔHf, kcal/mol:

-262.43

Dipole, Da:

6.43

IP(EA), eV:

 -9.44(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[(3-chloro-1-benzothiophen-2-yl)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)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)O)F

DOS

IR

Vibrations