Geometry & MOs

Info

ID:	188887
PubChem CID:	77779465
Reduced:	SF2N2O4H18C22 (1)
Stoich.:	AB2C2D4E18F22 (1)
Weight, g/mol:	492.191481
ΔH_f, kcal/mol:	-151.02
Dipole, Da:	10.65
IP(EA), eV:	-9.44(-2.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[4-(3-chlorophenoxy)-3-oxobut-1-enyl]-4-(oxan-2-yloxy)oxolan-3-yl]hept-4-enoic acid

Drug info:

PubChemData

Smile

CC1C2=C(CCN1)SC(=C2)C3=C(C4=NC=C(C(=O)C4=CC3=C5CC5)C(=O)O)OC(F)F

DOS

IR

Vibrations