Geometry & MOs

Info

ID:	421830
PubChem CID:	135116692
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	506.232934
ΔH_f, kcal/mol:	-39.21
Dipole, Da:	6.13
IP(EA), eV:	-9.57(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-22-methoxy-14-(pyridin-2-ylmethyl)-2-oxa-9,14,18-triazatricyclo[18.2.2.13,7]pentacosa-1(22),3,5,7(25),20,23-hexaene-10,19-dione

Drug info:

PubChemData

Smile

C1CC1(CNC(=O)C2=CC=C(C=C2)C(=O)N3CCOCC3)CN4C=CC=N4

DOS

IR

Vibrations