Geometry & MOs

Info

ID:

440424

PubChem CID:

135230401

Reduced:

FO5N7C27H34 (1)

Stoich.:

AB5C7D27E34 (1)

Weight, g/mol:

584.255875

ΔHf, kcal/mol:

-116.27

Dipole, Da:

8.04

IP(EA), eV:

 -8.8(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OCC2CNCCO2)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations