Geometry & MOs

Info

ID:	124124
PubChem CID:	50872819
Reduced:	ON2S2H18C21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	477.039077
ΔH_f, kcal/mol:	40.67
Dipole, Da:	5.87
IP(EA), eV:	-8.48(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)/C(=C\C3=C(NC4=CC=CC=C43)C)/SC2=S)C

DOS

IR

Vibrations