Geometry & MOs

Info

ID:

440412

PubChem CID:

135230389

Reduced:

F2O4N6C29H30 (1)

Stoich.:

A2B4C6D29E30 (1)

Weight, g/mol:

579.240559

ΔHf, kcal/mol:

-116.18

Dipole, Da:

11.04

IP(EA), eV:

 -8.63(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[5-[2-(methoxymethyl)pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(C(=O)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