Geometry & MOs

Info

ID:

440343

PubChem CID:

135230302

Reduced:

FO3N9C29H30 (1)

Stoich.:

AB3C9D29E30 (1)

Weight, g/mol:

502.232853

ΔHf, kcal/mol:

24.32

Dipole, Da:

7.74

IP(EA), eV:

 -8.89(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2S,4R,5S)-2-(2-methoxyethyl)-5-phenyl-1,3-dioxolan-4-yl]-3-[4-methyl-5-(1-methylpyrazol-4-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(N=C2)N(C=N3)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations