Geometry & MOs

Info

ID:	244664
PubChem CID:	99376309
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	464.209341
ΔH_f, kcal/mol:	-106.28
Dipole, Da:	1.84
IP(EA), eV:	-9.41(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)CC2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations