Geometry & MOs

Info

ID:	188616
PubChem CID:	77742282
Reduced:	SN3O6C26H31 (1)
Stoich.:	AB3C6D26E31 (1)
Weight, g/mol:	436.074737
ΔH_f, kcal/mol:	-210.55
Dipole, Da:	11.84
IP(EA), eV:	-8.97(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-4-methoxyphenoxy)-2-ethyl-3-(3-methyl-4-methylsulfonylphenyl)-2H-furan-5-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)C1CNCCS1=O)NC(CCN2C(=O)C3=CC4=CC=CC=C4C=C3C2=O)C(=O)O

DOS

IR

Vibrations