Geometry & MOs

Info

ID:

312122

PubChem CID:

126603305

Reduced:

NO2F3C12H12 (1)

Stoich.:

AB2C3D12E12 (1)

Weight, g/mol:

657.26863

ΔHf, kcal/mol:

-228.52

Dipole, Da:

3.28

IP(EA), eV:

 -10.01(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,3S,4S,11S)-4-amino-11,14-dihydroxy-18-(1-methylpyrrolidin-2-yl)-10,12-dioxo-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15(20),16,18-hexaen-16-yl] tert-butyl carbonate

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2[C@H]1NC(=O)C(F)(F)F)O

DOS

IR

Vibrations