Geometry & MOs

Info

ID:	79472
PubChem CID:	49755024
Reduced:	O2S2N4C21H28 (1)
Stoich.:	A2B2C4D21E28 (1)
Weight, g/mol:	506.14061
ΔH_f, kcal/mol:	-32.91
Dipole, Da:	5.94
IP(EA), eV:	-9.44(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCC(CC2)CNC(=O)C3(CCCCC3)C4=CC=CS4

DOS

IR

Vibrations