Geometry & MOs

Info

ID:

440486

PubChem CID:

135230472

Reduced:

F2O4N6C29H30 (1)

Stoich.:

A2B4C6D29E30 (1)

Weight, g/mol:

576.26088

ΔHf, kcal/mol:

-116.35

Dipole, Da:

6.12

IP(EA), eV:

 -8.91(-0.81)

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-2-phenyl-5-(2-propan-2-yloxypyrimidin-5-yl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC(=O)N(C=C2)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations