Geometry & MOs

Info

ID:	361104
PubChem CID:	127302020
Reduced:	ON6C22H34 (1)
Stoich.:	AB6C22D34 (1)
Weight, g/mol:	366.172562
ΔH_f, kcal/mol:	12.48
Dipole, Da:	4.93
IP(EA), eV:	-8.68(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)NCC4CN(CCN4C)C)C(C)(C)C

DOS

IR

Vibrations