Geometry & MOs

Info

ID:	244665
PubChem CID:	99376311
Reduced:	SN4O5C22H32 (1)
Stoich.:	AB4C5D22E32 (1)
Weight, g/mol:	464.209341
ΔH_f, kcal/mol:	-209.82
Dipole, Da:	10.09
IP(EA), eV:	-9.3(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

DOS

IR

Vibrations