Geometry & MOs

Info

ID:	238660
PubChem CID:	92764928
Reduced:	OSN3C17H27 (1)
Stoich.:	ABC3D17E27 (1)
Weight, g/mol:	410.235162
ΔH_f, kcal/mol:	-32.3
Dipole, Da:	3.66
IP(EA), eV:	-8.29(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCCN1CCN(CC1)C)SC2=CC=CC=C2

DOS

IR

Vibrations