Geometry & MOs

Info

ID:	78470
PubChem CID:	49689850
Reduced:	SN4O4C20H22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	415.131425
ΔH_f, kcal/mol:	-70.35
Dipole, Da:	7.97
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCC(CC2)CNC(=O)/C=C/C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations