Geometry & MOs

Info

ID:	216869
PubChem CID:	85086901
Reduced:	SO2N4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	310.214409
ΔH_f, kcal/mol:	-72.53
Dipole, Da:	6.66
IP(EA), eV:	-9.9(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-methyl-5-[2-methyl-3-(oxan-2-yloxy)prop-1-enyl]-2,5-dihydrofuran-2-yl]butan-1-ol

Drug info:

PubChemData

Smile

CCCCC(CCCC)N1C2=NC(=NC(=O)C2SC1=O)N

DOS

IR

Vibrations