Geometry & MOs

Info

ID:

190967

PubChem CID:

78088019

Reduced:

NO5C18H23 (1)

Stoich.:

AB5C18D23 (1)

Weight, g/mol:

767.258717

ΔHf, kcal/mol:

-180.95

Dipole, Da:

4.5

IP(EA), eV:

 -9.33(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-diacetyloxy-6-[[4-(2,6-dimethylphenyl)sulfanyl-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-[[2-(trifluoromethyl)phenyl]methylideneamino]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)C12CCCC=C1N(C(=O)C(C2)CC(=O)O)CC#CC

DOS

IR

Vibrations