Geometry & MOs

Info

ID:	145451
PubChem CID:	53527058
Reduced:	BrSN2O2C18H23 (1)
Stoich.:	ABC2D2E18F23 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-36.93
Dipole, Da:	3.12
IP(EA), eV:	-8.61(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2Br)N(C)C

DOS

IR

Vibrations