Geometry & MOs

Info

ID:

417498

PubChem CID:

135095559

Reduced:

F3O6N7C32H40 (1)

Stoich.:

A3B6C7D32E40 (1)

Weight, g/mol:

344.135863

ΔHf, kcal/mol:

-352.38

Dipole, Da:

13.57

IP(EA), eV:

 -8.83(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6-fluoroquinolin-2-yl)methyl]-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine

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)C2=CN=C(C=C2)C(F)(F)F)C)CC3=CC=CC=C3

DOS

IR

Vibrations