Geometry & MOs

Info

ID:

440639

PubChem CID:

135230685

Reduced:

FSO5N7C30H32 (1)

Stoich.:

ABC5D7E30F32 (1)

Weight, g/mol:

644.287094

ΔHf, kcal/mol:

-96.97

Dipole, Da:

4.98

IP(EA), eV:

 -8.75(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methyl-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations