Geometry & MOs

Info

ID:

313342

PubChem CID:

126613926

Reduced:

N3O12C37H49 (1)

Stoich.:

A3B12C37D49 (1)

Weight, g/mol:

595.288258

ΔHf, kcal/mol:

-470.56

Dipole, Da:

5.76

IP(EA), eV:

 -8.75(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S)-3-[[4-hydroxy-4-(5-pyrimidin-2-ylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-[(4R)-2-[4-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOC1=C(C=C(C=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)OCCNC(=O)O)OC)OCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations