Geometry & MOs

Info

ID:	238659
PubChem CID:	92764925
Reduced:	SN4O4C20H34 (1)
Stoich.:	AB4C4D20E34 (1)
Weight, g/mol:	321.187484
ΔH_f, kcal/mol:	-164.49
Dipole, Da:	3.91
IP(EA), eV:	-8.28(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylsulfanylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N([C@@H](C)C(=O)NCCCN2CCN(CC2)C)S(=O)(=O)C

DOS

IR

Vibrations