Geometry & MOs

Info

ID:	435869
PubChem CID:	135192624
Reduced:	FN9O12C50H58 (1)
Stoich.:	AB9C12D50E58 (1)
Weight, g/mol:	278.147079
ΔH_f, kcal/mol:	-517.25
Dipole, Da:	10.36
IP(EA), eV:	-9.42(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-7-[(Z)-3-fluoro-2-methylbut-2-enylidene]-1,2-dimethylphenalene

Drug info:

Smile

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)COCNC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCCCCNC(=O)C)O

DOS

IR

Vibrations