Geometry & MOs

Info

ID:	87597
PubChem CID:	49895678
Reduced:	NSI2O3H21C26 (1)
Stoich.:	ABC2D3E21F26 (1)
Weight, g/mol:	526.052084
ΔH_f, kcal/mol:	-8.8
Dipole, Da:	4.1
IP(EA), eV:	-9.16(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2I)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC(=C4)C)I

DOS

IR

Vibrations