Geometry & MOs

Info

ID:	172993
PubChem CID:	75580386
Reduced:	FON5H18C20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	455.206778
ΔH_f, kcal/mol:	36.22
Dipole, Da:	0.75
IP(EA), eV:	-9.2(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=C(C=CC(=C2)C3=CN=C4N3N=CC(=N4)C(C)(C)O)F

DOS

IR

Vibrations