Geometry & MOs

Info

ID:	78471
PubChem CID:	49689852
Reduced:	SO4N5C19H21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	416.188212
ΔH_f, kcal/mol:	-87.51
Dipole, Da:	5.96
IP(EA), eV:	-9.53(-1.17)
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-ylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCC(CC2)CNC(=O)CN3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations