Geometry & MOs

Info

ID:	87468
PubChem CID:	49894828
Reduced:	BrNSO6H24C28 (1)
Stoich.:	ABCD6E24F28 (1)
Weight, g/mol:	479.119129
ΔH_f, kcal/mol:	-158.76
Dipole, Da:	6.65
IP(EA), eV:	-9.19(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C)Br)OC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations