Geometry & MOs

Info

ID:

440496

PubChem CID:

135230482

Reduced:

OS2N15H25C32 (1)

Stoich.:

AB2C15D25E32 (1)

Weight, g/mol:

438.237939

ΔHf, kcal/mol:

349.84

Dipole, Da:

8.41

IP(EA), eV:

 -9.13(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C=C(C=C3)COC4=CN=C(C=C4)CSC5=NC6=CC=CC=C6N5C7=NN=NN7C)N=C2SCC8=NC=C(C=C8)C#N

DOS

IR

Vibrations