Geometry & MOs

Info

ID:	155740
PubChem CID:	56367281
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	436.178041
ΔH_f, kcal/mol:	-150.63
Dipole, Da:	6.97
IP(EA), eV:	-9.05(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCCC3

DOS

IR

Vibrations