Geometry & MOs

Info

ID:

437454

PubChem CID:

135226317

Reduced:

O3F4N9H29C30 (1)

Stoich.:

A3B4C9D29E30 (1)

Weight, g/mol:

561.261214

ΔHf, kcal/mol:

-117.13

Dipole, Da:

10.92

IP(EA), eV:

 -9.03(-1.01)

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-(1-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=CN(N=C3N=C2)CC(F)(F)F)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations