Geometry & MOs

Info

ID:	167228
PubChem CID:	74795957
Reduced:	F2O3N4H22C26 (1)
Stoich.:	A2B3C4D22E26 (1)
Weight, g/mol:	476.096141
ΔH_f, kcal/mol:	-88.87
Dipole, Da:	5.33
IP(EA), eV:	-9.17(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCN2C=NC3C2C(=O)N(C(=O)N3C4=CC=C(C=C4)F)CC5=CC=CC=C5F

DOS

IR

Vibrations