Geometry & MOs

Info

ID:	182352
PubChem CID:	76879020
Reduced:	ClSN3O4C17H22 (1)
Stoich.:	ABC3D4E17F22 (1)
Weight, g/mol:	432.03208
ΔH_f, kcal/mol:	-167.45
Dipole, Da:	4.87
IP(EA), eV:	-10.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-(furan-2-yl)-2-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CC1NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)NCN2

DOS

IR

Vibrations