Geometry & MOs

Info

ID:	436438
PubChem CID:	135202878
Reduced:	F3O4N11C38H38 (1)
Stoich.:	A3B4C11D38E38 (1)
Weight, g/mol:	449.256609
ΔH_f, kcal/mol:	-45.8
Dipole, Da:	2.77
IP(EA), eV:	-9.04(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)pentanoate

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(C=CC(=C2)F)O[C@H](CNC(=O)C3=CNN4C3=NC(=N1)C=C4)CN(C)CC5=CC6=N[C@@H](C7=C(C=CC(=C7)F)OC[C@H](NC(=O)C8=CNN5C8=N6)CF)C

DOS

IR

Vibrations