Geometry & MOs

Info

ID:	297405
PubChem CID:	117616940
Reduced:	SN2O3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	408.150764
ΔH_f, kcal/mol:	-58.0
Dipole, Da:	1.19
IP(EA), eV:	-8.64(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(2-ethylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)N=C1N(C(=O)/C(=C/C2=CC3=C(C=C2)OCCO3)/S1)C4=CC=CC5=C4CCCC5

DOS

IR

Vibrations