Geometry & MOs

Info

ID:

437445

PubChem CID:

135226308

Reduced:

O3F4N9H29C30 (1)

Stoich.:

A3B4C9D29E30 (1)

Weight, g/mol:

615.240559

ΔHf, kcal/mol:

-133.27

Dipole, Da:

8.61

IP(EA), eV:

 -9.22(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C3C(=C2)C=NN3CC(F)(F)F)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations