Geometry & MOs

Info

ID:	347988
PubChem CID:	127273050
Reduced:	SO2N5C19H29 (1)
Stoich.:	AB2C5D19E29 (1)
Weight, g/mol:	380.188212
ΔH_f, kcal/mol:	-68.42
Dipole, Da:	5.2
IP(EA), eV:	-8.54(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NCC(C)N3CCN(CC3)C)C

DOS

IR

Vibrations