Geometry & MOs

Info

ID:

309230

PubChem CID:

126540796

Reduced:

SF2N2O2C19H28 (1)

Stoich.:

AB2C2D2E19F28 (1)

Weight, g/mol:

527.351178

ΔHf, kcal/mol:

-194.23

Dipole, Da:

2.18

IP(EA), eV:

 -8.85(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S,2R,5S,6R,14S,16R)-5-isoquinolin-7-yl-6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-yl]-N-[2-[methyl(propyl)amino]ethyl]hydroxylamine

Drug info:

PubChemData

Smile

C1CC(CCC1N[C@@H]2C[C@H]2C3CC(=CS3)C(=O)NC4CCOCC4)(F)F

DOS

IR

Vibrations