Geometry & MOs

Info

ID:	236264
PubChem CID:	92712117
Reduced:	S2N3O3C19H33 (1)
Stoich.:	A2B3C3D19E33 (1)
Weight, g/mol:	430.207233
ΔH_f, kcal/mol:	-121.85
Dipole, Da:	3.34
IP(EA), eV:	-8.62(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)butanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCCCN(C)C1CCCCC1)NS(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations