Geometry & MOs

Info

ID:	123593
PubChem CID:	50854938
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	365.156184
ΔH_f, kcal/mol:	-91.82
Dipole, Da:	9.32
IP(EA), eV:	-9.01(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(1-cyclohexylpyrrol-3-yl)methylidene]-2-(3-methylanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CN(C=C3)C4CCCCC4)/C(=O)NC2=O

DOS

IR

Vibrations