Geometry & MOs

Info

ID:	312712
PubChem CID:	126607555
Reduced:	ClOF2N6H17C23 (1)
Stoich.:	ABC2D6E17F23 (1)
Weight, g/mol:	344.128469
ΔH_f, kcal/mol:	21.61
Dipole, Da:	5.9
IP(EA), eV:	-8.63(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10E)-16-amino-6-fluoro-8,13-dioxa-1,15,18-triazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,20-heptaen-19-ol

Drug info:

PubChemData

Smile

CN=C/C(=C(/C1=CC=C(C=C1)F)\N)/C2=NN3C=C(N=C3C=C2)NC(=O)C4=C(C=CC(=C4)Cl)F

DOS

IR

Vibrations