Geometry & MOs

Info

ID:	133264
PubChem CID:	51500205
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	495.112701
ΔH_f, kcal/mol:	-55.05
Dipole, Da:	1.77
IP(EA), eV:	-8.36(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2Z)-2-cyano-N-(3,4-dimethylphenyl)-2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanimidate

Drug info:

PubChemData

Smile

CCCO[C@@H]1CCCN(C1)CC2=C(N(C3=CC=CC=C32)CC(=O)NC4CC4)C

DOS

IR

Vibrations