Geometry & MOs

Info

ID:

440349

PubChem CID:

135230308

Reduced:

F2O4N7C28H29 (1)

Stoich.:

A2B4C7D28E29 (1)

Weight, g/mol:

541.200842

ΔHf, kcal/mol:

-97.17

Dipole, Da:

11.03

IP(EA), eV:

 -9.34(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-methyl-5-(1-methylpyrazol-4-yl)-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-phenyl-2-(thiadiazol-4-ylmethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations