Geometry & MOs

Info

ID:	79468
PubChem CID:	49754994
Reduced:	BrSN3O4C12H18 (1)
Stoich.:	ABC3D4E12F18 (1)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-107.91
Dipole, Da:	4.96
IP(EA), eV:	-9.61(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]-N'-(thiophen-3-ylmethyl)oxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCC(CC2)CNS(=O)(=O)CBr

DOS

IR

Vibrations