Geometry & MOs

Info

ID:

226130

PubChem CID:

87325857

Reduced:

NO2F3C7H12 (2)

Stoich.:

AB2C3D7E12 (2)

Weight, g/mol:

447.179421

ΔHf, kcal/mol:

-506.5

Dipole, Da:

12.19

IP(EA), eV:

 -9.92(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(19S)-7-[(E)-butoxyiminomethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

CC1CC1C[NH2+]CCC(C)(C)[NH3+].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations