Geometry & MOs

Info

ID:

435012

PubChem CID:

135177403

Reduced:

F2N6O7C35H44 (1)

Stoich.:

A2B6C7D35E44 (1)

Weight, g/mol:

452.233602

ΔHf, kcal/mol:

-366.64

Dipole, Da:

7.62

IP(EA), eV:

 -8.7(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-fluoro-1-[1-[5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]azetidin-3-yl]-4,4-dimethyl-2,3-dihydroquinoline

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)N(CC[C@@H](C(=O)NCCC(=O)N[C@@H](CC(=O)N)C(=O)O)N)C(=O)CO

DOS

IR

Vibrations