Geometry & MOs

Info

ID:

228737

PubChem CID:

87565647

Reduced:

NO3F6H21C23 (1)

Stoich.:

AB3C6D21E23 (1)

Weight, g/mol:

592.12151

ΔHf, kcal/mol:

-386.96

Dipole, Da:

2.83

IP(EA), eV:

 -9.76(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridin-2-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NOC(C2)(C3=CC(=CC=C3)C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations