Geometry & MOs

Info

ID:	358044
PubChem CID:	127295589
Reduced:	SN4O4C16H30 (1)
Stoich.:	AB4C4D16E30 (1)
Weight, g/mol:	360.183127
ΔH_f, kcal/mol:	-188.65
Dipole, Da:	3.58
IP(EA), eV:	-9.26(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azepane-1-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNS(=O)(=O)N(C)C2CCCCC2

DOS

IR

Vibrations