Geometry & MOs

Info

ID:

431343

PubChem CID:

135171418

Reduced:

FNC12H16 (1)

Stoich.:

ABC12D16 (1)

Weight, g/mol:

983.629369

ΔHf, kcal/mol:

-37.66

Dipole, Da:

2.01

IP(EA), eV:

-8.15(0.36)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[[4-[4-ethyl-2,6-dimethyl-4-[2-methyl-2-[3-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]butoxy]propyl]-6-[3-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]butoxy]heptan-2-yl]oxy-2-methylbutan-2-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)N2CCCC2)F

DOS

IR

Vibrations