Geometry & MOs

Info

ID:

437446

PubChem CID:

135226309

Reduced:

F2O4N7H31C32 (1)

Stoich.:

A2B4C7D31E32 (1)

Weight, g/mol:

576.224494

ΔHf, kcal/mol:

-91.59

Dipole, Da:

11.35

IP(EA), eV:

 -8.83(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[3-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-2-phenyl-1H-pyrazol-5-ylidene]-N-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C3C(=C2)C=CC(=O)N3C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations