Geometry & MOs

Info

ID:

223745

PubChem CID:

85335515

Reduced:

ClNSO4C29H34 (1)

Stoich.:

ABCD4E29F34 (1)

Weight, g/mol:

528.123224

ΔHf, kcal/mol:

-148.58

Dipole, Da:

3.86

IP(EA), eV:

 -8.42(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4,7-dimethyl-5-[2-methyl-4-(trifluoromethyl)pyrazol-3-yl]oxy-1,3-dioxo-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-2-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CCC1(CCN(C1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5=CC(=CC=C5)O)C.Cl

DOS

IR

Vibrations