Geometry & MOs

Info

ID:	420955
PubChem CID:	135115119
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	513.227514
ΔH_f, kcal/mol:	-105.4
Dipole, Da:	2.61
IP(EA), eV:	-8.95(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-23-methoxy-15-(oxolane-3-carbonyl)-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)C3=CC(=C(C=C3)OC)OCC#C

DOS

IR

Vibrations