Geometry & MOs

Info

ID:

440483

PubChem CID:

135230469

Reduced:

F3O3N7H28C29 (1)

Stoich.:

A3B3C7D28E29 (1)

Weight, g/mol:

614.27653

ΔHf, kcal/mol:

-111.02

Dipole, Da:

1.01

IP(EA), eV:

 -9.3(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(6-acetyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)C5=CC(=C(N=C5)C(=O)NC)F)C

DOS

IR

Vibrations