Geometry & MOs

Info

ID:

233624

PubChem CID:

91146311

Reduced:

N2O5C28H46 (2)

Stoich.:

A2B5C28D46 (2)

Weight, g/mol:

339.076551

ΔHf, kcal/mol:

-494.81

Dipole, Da:

6.44

IP(EA), eV:

 -8.78(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC.CC.C[C@@H]1CN([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](CN([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)CC2=CC=CC=C2)CC(C)C)C)C)CC(C)C)C)CC3=CC=CC=C3)CC(C)C)C

DOS

IR

Vibrations