Geometry & MOs

Info

ID:	61012
PubChem CID:	26704259
Reduced:	N4O5C23H34 (1)
Stoich.:	A4B5C23D34 (1)
Weight, g/mol:	473.044834
ΔH_f, kcal/mol:	-220.11
Dipole, Da:	10.27
IP(EA), eV:	-8.5(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-chloro-N-[2-[(5Z)-5-[(4-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCC2=CC(=CC(=C2)OC)OC)N

DOS

IR

Vibrations