Geometry & MOs

Info

ID:	243915
PubChem CID:	99300597
Reduced:	ClO3N6C23H29 (1)
Stoich.:	AB3C6D23E29 (1)
Weight, g/mol:	458.130028
ΔH_f, kcal/mol:	-83.29
Dipole, Da:	6.71
IP(EA), eV:	-8.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-methoxy-3-phenylbenzamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=NN(C=C2)C3=CC=CC=C3Cl)N

DOS

IR

Vibrations