Geometry & MOs

Info

ID:

437422

PubChem CID:

135226284

Reduced:

FO3N9C29H30 (1)

Stoich.:

AB3C9D29E30 (1)

Weight, g/mol:

571.245564

ΔHf, kcal/mol:

28.59

Dipole, Da:

11.12

IP(EA), eV:

 -9.19(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=NC(=NN3C=C2)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations