Geometry & MOs

Info

ID:	87660
PubChem CID:	49896365
Reduced:	NSO5H17C23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	400.088164
ΔH_f, kcal/mol:	-112.51
Dipole, Da:	5.83
IP(EA), eV:	-9.29(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4C(=O)O)/SC2=O

DOS

IR

Vibrations