Geometry & MOs

Info

ID:	173367
PubChem CID:	75628711
Reduced:	O3C28H46 (1)
Stoich.:	A3B28C46 (1)
Weight, g/mol:	576.20317
ΔH_f, kcal/mol:	-188.96
Dipole, Da:	2.96
IP(EA), eV:	-9.11(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-bis(4-fluorophenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydropteridin-3-yl]acetate

Drug info:

PubChemData

Smile

CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC(=C3CC(CC(C3=C)O)O)C)C

DOS

IR

Vibrations