Geometry & MOs

Info

ID:	78474
PubChem CID:	49689865
Reduced:	ClSO4N5C17H18 (1)
Stoich.:	ABC4D5E17F18 (1)
Weight, g/mol:	432.165369
ΔH_f, kcal/mol:	-27.7
Dipole, Da:	6.33
IP(EA), eV:	-9.8(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCC(CC2)CNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations