Geometry & MOs

Info

ID:	54655
PubChem CID:	17389050
Reduced:	SN2O3C27H32 (1)
Stoich.:	AB2C3D27E32 (1)
Weight, g/mol:	522.172562
ΔH_f, kcal/mol:	-62.37
Dipole, Da:	2.3
IP(EA), eV:	-8.32(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-benzyl-2-benzylimino-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=NC3=CC=CC=C3)S2)C4CCCCC4)OC

DOS

IR

Vibrations