Geometry & MOs

Info

ID:

435844

PubChem CID:

135192563

Reduced:

FN2O3C27H37 (1)

Stoich.:

AB2C3D27E37 (1)

Weight, g/mol:

425.21147

ΔHf, kcal/mol:

-109.88

Dipole, Da:

4.97

IP(EA), eV:

 -8.58(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-5-ethyl-20-(2-fluoroethyl)-5-hydroxy-18-propan-2-ylidene-7-oxa-6,11,21-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2,4(9),13,19-pentaen-10-one

Drug info:

PubChemData

Smile

CCN(C)/C(=C\C(=C(\COC)/C=O)\C(C)OC)/C1=CC2=CC(=N1)/C=C(\C(=C(\CCC2)/C)\C)/F

DOS

IR

Vibrations