Geometry & MOs

Info

ID:	58176
PubChem CID:	24430803
Reduced:	S2N3O4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-101.55
Dipole, Da:	6.84
IP(EA), eV:	-8.76(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-cyano-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)/C=C\2/C(=O)N(/C(=C(\C#N)/C(=O)NCCOC)/S2)CCOC

DOS

IR

Vibrations