Geometry & MOs

Info

ID:	122046
PubChem CID:	50790848
Reduced:	FSN2O4H23C26 (1)
Stoich.:	ABC2D4E23F26 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-139.21
Dipole, Da:	9.59
IP(EA), eV:	-9.08(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=C(C(=O)N(S2(=O)=O)CC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)F)C)C

DOS

IR

Vibrations