Geometry & MOs

Info

ID:	87568
PubChem CID:	49895561
Reduced:	NSCl2O4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	470.130028
ΔH_f, kcal/mol:	-94.25
Dipole, Da:	3.36
IP(EA), eV:	-8.82(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)OC)/SC2=O

DOS

IR

Vibrations