Geometry & MOs

Info

ID:	123582
PubChem CID:	50854927
Reduced:	OSN3H19C20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	423.198048
ΔH_f, kcal/mol:	42.66
Dipole, Da:	7.89
IP(EA), eV:	-8.46(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(1-cyclohexylpyrrol-3-yl)methylidene]-3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=CC(=C2)/C=C/3\C(=O)N4C5=CC=CC=C5N=C4S3

DOS

IR

Vibrations