Geometry & MOs

Info

ID:

440514

PubChem CID:

135230500

Reduced:

O3N7C27H31 (1)

Stoich.:

A3B7C27D31 (1)

Weight, g/mol:

622.246372

ΔHf, kcal/mol:

39.5

Dipole, Da:

5.65

IP(EA), eV:

 -8.62(-0.57)

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,1-dimethyl-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations