Geometry & MOs

Info

ID:

328302

PubChem CID:

126700640

Reduced:

F2O3N4H14C18 (1)

Stoich.:

A2B3C4D14E18 (1)

Weight, g/mol:

556.223432

ΔHf, kcal/mol:

-104.93

Dipole, Da:

6.45

IP(EA), eV:

 -8.52(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[3-fluoro-4-[1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]phenyl]-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]oxy]propanamide

Drug info:

PubChemData

Smile

C1CCOC2=CC(=CC3=C2N(C1)C(=N3)C4=CC(=C5C(=C4F)N=C(O5)N)F)O

DOS

IR

Vibrations