Geometry & MOs

Info

ID:

440542

PubChem CID:

135230533

Reduced:

FO6N8C34H39 (1)

Stoich.:

AB6C8D34E39 (1)

Weight, g/mol:

553.254986

ΔHf, kcal/mol:

-150.7

Dipole, Da:

6.96

IP(EA), eV:

 -9.26(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-2-(2-methoxyethyl)-5-phenyl-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC(=C(N=C2)OC)C(=O)NC3CCOCC3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations