Geometry & MOs

Info

ID:	358045
PubChem CID:	127295590
Reduced:	SN4O4C15H28 (1)
Stoich.:	AB4C4D15E28 (1)
Weight, g/mol:	394.167477
ΔH_f, kcal/mol:	-185.44
Dipole, Da:	8.42
IP(EA), eV:	-9.31(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNS(=O)(=O)N2CCCCCC2

DOS

IR

Vibrations