Geometry & MOs

Info

ID:	88088
PubChem CID:	49900766
Reduced:	NSO3H23C25 (1)
Stoich.:	ABC3D23E25 (1)
Weight, g/mol:	520.122356
ΔH_f, kcal/mol:	-58.87
Dipole, Da:	5.05
IP(EA), eV:	-8.77(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-4-[(Z)-[3-[(2-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations