Geometry & MOs

Info

ID:

440545

PubChem CID:

135230542

Reduced:

F2O4N7C29H29 (1)

Stoich.:

A2B4C7D29E29 (1)

Weight, g/mol:

639.241702

ΔHf, kcal/mol:

-119.34

Dipole, Da:

12.29

IP(EA), eV:

 -8.83(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(C(=O)C(=C2)C(=O)NC)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations