Geometry & MOs

Info

ID:

440383

PubChem CID:

135230342

Reduced:

FO5N7C31H34 (1)

Stoich.:

AB5C7D31E34 (1)

Weight, g/mol:

662.312915

ΔHf, kcal/mol:

-74.52

Dipole, Da:

7.83

IP(EA), eV:

 -8.91(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(6-benzyl-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

CC1=C(N(N=C1C2=CC(=C(N=C2)OC)C3(CC3)O)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations