Geometry & MOs

Info

ID:

306439

PubChem CID:

125011738

Reduced:

ON6C18H20 (1)

Stoich.:

AB6C18D20 (1)

Weight, g/mol:

532.297094

ΔHf, kcal/mol:

39.78

Dipole, Da:

7.28

IP(EA), eV:

 -9.04(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S,5R,6S,8R,10S)-5-[2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]ethyl]-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)C(=O)N3CCC[C@H]3C4=CN=CC(=N4)NC

DOS

IR

Vibrations