Geometry & MOs

Info

ID:	302783
PubChem CID:	124395332
Reduced:	SN2O4C16H26 (1)
Stoich.:	AB2C4D16E26 (1)
Weight, g/mol:	464.140593
ΔH_f, kcal/mol:	-170.13
Dipole, Da:	6.87
IP(EA), eV:	-9.38(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(5E)-5-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N([C@H](C)C(=O)NCCCOC)S(=O)(=O)C)C

DOS

IR

Vibrations