Geometry & MOs

Info

ID:

435842

PubChem CID:

135192559

Reduced:

FN2C27H31 (1)

Stoich.:

AB2C27D31 (1)

Weight, g/mol:

422.164185

ΔHf, kcal/mol:

19.22

Dipole, Da:

5.48

IP(EA), eV:

 -8.39(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,12,14,16,18,20(24)-hexaene-5,9-dione

Drug info:

PubChemData

Smile

CC/C(=C(\CCC=C)/C=C)/C=C\1/C2=NC3=CC(=C(C4=C3C(=C2CN1C)CCC4)C)F

DOS

IR

Vibrations