Geometry & MOs

Info

ID:

309126

PubChem CID:

126538004

Reduced:

NC30H39 (1)

Stoich.:

AB30C39 (1)

Weight, g/mol:

482.278072

ΔHf, kcal/mol:

26.23

Dipole, Da:

5.07

IP(EA), eV:

 -7.38(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2S,6R)-9-(6-aminohexoxy)-10-methoxy-3,3-dimethyl-15-oxo-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1CCCCC=C)C3CCC(C3N4C2=CC(=C)C(=C4)C(=C)C)(C)C

DOS

IR

Vibrations