Geometry & MOs

Info

ID:	217276
PubChem CID:	85087544
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	348.23006
ΔH_f, kcal/mol:	-83.87
Dipole, Da:	5.88
IP(EA), eV:	-8.61(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-methyl-5-[2-methyl-3-(oxan-2-yloxy)prop-1-enyl]-2,5-dihydrofuran-2-yl]hept-2-yn-1-ol

Drug info:

PubChemData

Smile

C1C2C(C(S1)CCCCC(=O)NCC3=CC=C(C=C3)N)NC(=O)N2

DOS

IR

Vibrations