Geometry & MOs

Info

ID:

318519

PubChem CID:

126651643

Reduced:

F3C17H33 (1)

Stoich.:

A3B17C33 (1)

Weight, g/mol:

687.324748

ΔHf, kcal/mol:

-243.83

Dipole, Da:

3.58

IP(EA), eV:

 -10.8(1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[2,3,5,6-tetradeuterio-4-[2,3,5-trideuterio-6-methyl-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CCCCCC(C)(CCCCC)CC(C)(C)C(F)(F)F

DOS

IR

Vibrations