Geometry & MOs

Info

ID:	57993
PubChem CID:	24398157
Reduced:	S2N3O4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	405.114713
ΔH_f, kcal/mol:	-105.91
Dipole, Da:	2.76
IP(EA), eV:	-8.75(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C

DOS

IR

Vibrations