Geometry & MOs

Info

ID:

437458

PubChem CID:

135226321

Reduced:

ClFO3N7C27H27 (1)

Stoich.:

ABC3D7E27F27 (1)

Weight, g/mol:

552.180043

ΔHf, kcal/mol:

-39.15

Dipole, Da:

11.97

IP(EA), eV:

 -9.28(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(2-chloropyrimidin-5-yl)-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations