Geometry & MOs

Info

ID:

437431

PubChem CID:

135226294

Reduced:

FO5N7C29H30 (1)

Stoich.:

AB5C7D29E30 (1)

Weight, g/mol:

593.219823

ΔHf, kcal/mol:

-83.82

Dipole, Da:

11.14

IP(EA), eV:

 -9.48(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[3-[[(4R,5S)-5-(3,4-difluorophenyl)-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=CC(=NC=C2)C(=O)OC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations