Geometry & MOs

Info

ID:

189055

PubChem CID:

77810082

Reduced:

NO5C34H45 (1)

Stoich.:

AB5C34D45 (1)

Weight, g/mol:

652.355946

ΔHf, kcal/mol:

-223.27

Dipole, Da:

3.73

IP(EA), eV:

 -9.5(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[1-phenyl-4-[(5-propan-2-ylpyridin-3-yl)methylamino]butan-2-yl]-5-piperidin-1-ylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3OC2=O)N

DOS

IR

Vibrations