Geometry & MOs

Info

ID:

440359

PubChem CID:

135230318

Reduced:

O5N7C31H35 (1)

Stoich.:

A5B7C31D35 (1)

Weight, g/mol:

570.15645

ΔHf, kcal/mol:

-70.31

Dipole, Da:

8.74

IP(EA), eV:

 -8.88(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5R)-5-(2-chloro-1,3-thiazol-5-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[5-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations