Geometry & MOs

Info

ID:

449235

PubChem CID:

135297072

Reduced:

FOSN6C23H27 (1)

Stoich.:

ABCD6E23F27 (1)

Weight, g/mol:

477.145534

ΔHf, kcal/mol:

4.55

Dipole, Da:

5.17

IP(EA), eV:

 -8.28(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (6R)-10-chloro-9-[(3-cyano-1-bicyclo[1.1.1]pentanyl)methoxy]-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-3,1'-cyclopropane]-16-carboxylate

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCCCN2C[C@H]3CCN([C@H]3C2)C4=CC=C(C=C4)F)C5=CC(=O)NC=C5

DOS

IR

Vibrations