Geometry & MOs

Info

ID:

437500

PubChem CID:

135226425

Reduced:

FO3N11C34H40 (1)

Stoich.:

AB3C11D34E40 (1)

Weight, g/mol:

630.282678

ΔHf, kcal/mol:

34.11

Dipole, Da:

6.01

IP(EA), eV:

 -8.19(-0.68)

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-5-[2-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(N=C2)N(N=C3N4CCN(CC4)C)C)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations