Geometry & MOs

Info

ID:	218636
PubChem CID:	85089732
Reduced:	N2S2F3O4C21H23 (1)
Stoich.:	A2B2C3D4E21F23 (1)
Weight, g/mol:	488.313789
ΔH_f, kcal/mol:	-270.1
Dipole, Da:	6.45
IP(EA), eV:	-9.67(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[3-cyclopentyl-3-(oxan-2-yloxy)prop-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]acetate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=C(C=C1)C2(CC2C3CCCCC3)C(=O)NC4=NC=CS4)OC(F)(F)F

DOS

IR

Vibrations