Geometry & MOs

Info

ID:

440421

PubChem CID:

135230398

Reduced:

FO3N9C31H36 (1)

Stoich.:

AB3C9D31E36 (1)

Weight, g/mol:

696.283152

ΔHf, kcal/mol:

2.14

Dipole, Da:

6.18

IP(EA), eV:

 -8.22(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-(2-hydroxy-2-methylpropoxy)-2-methoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(C=C2)N3CCNCC3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations