Geometry & MOs

Info

ID:

324350

PubChem CID:

126677486

Reduced:

NF3O3C18H26 (1)

Stoich.:

AB3C3D18E26 (1)

Weight, g/mol:

488.249807

ΔHf, kcal/mol:

-174.96

Dipole, Da:

5.75

IP(EA), eV:

 -8.76(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,8S)-9-methylidene-10-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(3,3,3-trifluoropropanoyl)-4-azatricyclo[4.4.1.03,8]undecan-2-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O[C@H]1[C@H]2CC[C@H]3C1N(CC(C2)C3)C(=O)CC(F)(F)F

DOS

IR

Vibrations