Geometry & MOs

Info

ID:	186200
PubChem CID:	77402872
Reduced:	ClF2S2N4O5H25C30 (1)
Stoich.:	AB2C2D4E5F25G30 (1)
Weight, g/mol:	354.219495
ΔH_f, kcal/mol:	-193.04
Dipole, Da:	4.46
IP(EA), eV:	-8.85(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-1-pentyl-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-4-en-3-one

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)NC(=O)C3=C(C4=C(N3CC5=C(C=CC(=C5)F)F)C=CC(=C4)Cl)C6CCCNC6=O

DOS

IR

Vibrations