Geometry & MOs

Info

ID:

186781

PubChem CID:

77481471

Reduced:

FSN4O6C31H37 (1)

Stoich.:

ABC4D6E31F37 (1)

Weight, g/mol:

815.296383

ΔHf, kcal/mol:

-244.21

Dipole, Da:

5.03

IP(EA), eV:

 -8.71(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[5-[4-[4-[2-[1-(2-cyclohexa-1,3-dien-1-ylacetyl)pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]benzamide

Drug info:

PubChemData

Smile

CCCCOC(=O)NC1COCCC1NC2=C(C3=C(C(=N2)C4=CC=C(S4)C)C(=O)N(C3)CC5=C(C=C(C=C5)OC)OC)F

DOS

IR

Vibrations