Geometry & MOs

Info

ID:	177369
PubChem CID:	76175906
Reduced:	N3S3O5H19C22 (1)
Stoich.:	A3B3C5D19E22 (1)
Weight, g/mol:	426.098249
ΔH_f, kcal/mol:	-98.83
Dipole, Da:	7.3
IP(EA), eV:	-9.4(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-chloro-3,5-dimethylphenoxy)-1-hydroxyethylidene]-1-(furan-2-ylmethyl)-4-methyl-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)C1=C(CN2C(=O)C(=CC3=CC=CS3)SC2=S)O)CC4CCCO4)C#N

DOS

IR

Vibrations