Geometry & MOs

Info

ID:	404365
PubChem CID:	135066033
Reduced:	PbO4N8C60H72 (1)
Stoich.:	AB4C8D60E72 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	347.16
Dipole, Da:	9.24
IP(EA), eV:	-6.72(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-hydroxy-6-methyl-6-(5-methylfuran-2-yl)heptan-2-one

Drug info:

Smile

CC(C)C(C(C)C)OC1=CC=CC2=C1C3=NC2=NC4=C5C(=C6N4[Pb+2]N7C(=N3)C8=C(C7=NC9=NC(=N6)C1=C9C=CC=C1OC(C(C)C)C(C)C)C(=CC=C8)OC(C(C)C)C(C)C)C=CC=C5OC(C(C)C)C(C)C

DOS

IR

Vibrations