Geometry & MOs

Info

ID:	218453
PubChem CID:	85089468
Reduced:	N2F3O3C25H35 (1)
Stoich.:	A2B3C3D25E35 (1)
Weight, g/mol:	468.196815
ΔH_f, kcal/mol:	-307.35
Dipole, Da:	2.73
IP(EA), eV:	-8.69(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[tert-butyl(dimethyl)silyl]oxy-4a-hydroxy-7,12-dioxo-2,3,4,12b-tetrahydro-1H-benzo[a]anthracen-8-yl] acetate

Drug info:

PubChemData

Smile

CC(C)C1(CCC(C1)NC2CCOCC2)C(=O)N3CCC4=C(C3)C=C(C=C4)C(C(F)(F)F)O

DOS

IR

Vibrations