Geometry & MOs

Info

ID:	122047
PubChem CID:	50790875
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	428.140593
ΔH_f, kcal/mol:	-124.86
Dipole, Da:	3.03
IP(EA), eV:	-9.49(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]-N-propylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=O)N(S2(=O)=O)CC3=CC=C(C=C3)C(=O)NC(C)C)C

DOS

IR

Vibrations