Geometry & MOs

Info

ID:	79473
PubChem CID:	49755046
Reduced:	S2O5N6C21H26 (1)
Stoich.:	A2B5C6D21E26 (1)
Weight, g/mol:	470.173625
ΔH_f, kcal/mol:	-134.26
Dipole, Da:	8.8
IP(EA), eV:	-8.5(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCC(CC2)CNC(=O)C(=O)NC3=CC=C(C=C3)N4CCCS4(=O)=O

DOS

IR

Vibrations