Geometry & MOs

Info

ID:

219063

PubChem CID:

85090427

Reduced:

SO3F5N5C23H24 (1)

Stoich.:

AB3C5D5E23F24 (1)

Weight, g/mol:

545.195071

ΔHf, kcal/mol:

-286.13

Dipole, Da:

6.14

IP(EA), eV:

 -8.89(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-ethyl-20-(hydroxymethyl)-10-(naphthalen-2-yloxyiminomethyl)-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4,6,8,10,15(21)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations