Geometry & MOs

Info

ID:	78467
PubChem CID:	49689837
Reduced:	ClSO3N4C18H21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	412.120526
ΔH_f, kcal/mol:	-67.08
Dipole, Da:	5.12
IP(EA), eV:	-9.41(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations