Geometry & MOs

Info

ID:	61368
PubChem CID:	26708644
Reduced:	SN4O4C24H24 (1)
Stoich.:	AB4C4D24E24 (1)
Weight, g/mol:	497.107913
ΔH_f, kcal/mol:	-26.56
Dipole, Da:	4.56
IP(EA), eV:	-8.49(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)CCC3=NC(=NO3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations