Geometry & MOs

Info

ID:	87493
PubChem CID:	49894975
Reduced:	FNSO3H22C29 (1)
Stoich.:	ABCD3E22F29 (1)
Weight, g/mol:	475.145344
ΔH_f, kcal/mol:	-68.29
Dipole, Da:	2.33
IP(EA), eV:	-8.89(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(C=CC4=CC=CC=C43)OCC5=CC=CC=C5F)/SC2=O

DOS

IR

Vibrations