Geometry & MOs

Info

ID:	416127
PubChem CID:	135089135
Reduced:	N2O3C24H38 (1)
Stoich.:	A2B3C24D38 (1)
Weight, g/mol:	457.212533
ΔH_f, kcal/mol:	-146.43
Dipole, Da:	4.57
IP(EA), eV:	-8.68(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-fluoro-2,13-dioxa-5,16,17,18,24-pentazapentacyclo[22.2.2.11,4.116,19.07,12]triaconta-7(12),8,10,17,19(29)-pentaene-6,23-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OC(C)(C)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations