Geometry & MOs

Info

ID:

425199

PubChem CID:

135125505

Reduced:

S2F3N3O6C26H26 (1)

Stoich.:

A2B3C3D6E26F26 (1)

Weight, g/mol:

469.200156

ΔHf, kcal/mol:

-348.43

Dipole, Da:

8.09

IP(EA), eV:

 -9.34(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[(1-oxo-3H-2-benzofuran-5-yl)amino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations