Geometry & MOs

Info

ID:	158407
PubChem CID:	56463583
Reduced:	SN4O4C23H32 (1)
Stoich.:	AB4C4D23E32 (1)
Weight, g/mol:	455.199111
ΔH_f, kcal/mol:	-109.18
Dipole, Da:	4.28
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCCOC

DOS

IR

Vibrations