Geometry & MOs

Info

ID:	58177
PubChem CID:	24430806
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	459.161663
ΔH_f, kcal/mol:	-109.93
Dipole, Da:	2.81
IP(EA), eV:	-8.7(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(5Z)-3-(2,6-dimethylphenyl)-5-[(3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)/C=C\2/C(=O)N(/C(=C(\C#N)/C(=O)NCCOC)/S2)CCOC)C

DOS

IR

Vibrations