Geometry & MOs

Info

ID:	78465
PubChem CID:	49689824
Reduced:	SN4O4C19H24 (1)
Stoich.:	AB4C4D19E24 (1)
Weight, g/mol:	406.240248
ΔH_f, kcal/mol:	-103.3
Dipole, Da:	7.79
IP(EA), eV:	-9.3(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCC(CC2)CNC(=O)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations