Geometry & MOs

Info

ID:

46632

PubChem CID:

10525766

Reduced:

NO3F5H16C20 (1)

Stoich.:

AB3C5D16E20 (1)

Weight, g/mol:

413.137556

ΔHf, kcal/mol:

-322.94

Dipole, Da:

2.91

IP(EA), eV:

 -8.66(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-ethyl-10-hydroxy-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-19-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1C)/C(=C\3/C(=C(C)C)C(=O)OC3=O)/C(C(F)(F)F)(F)F

DOS

IR

Vibrations