Geometry & MOs

Info

ID:	128639
PubChem CID:	51052949
Reduced:	SCl2N2O3H16C20 (1)
Stoich.:	AB2C2D3E16F20 (1)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	-74.53
Dipole, Da:	4.56
IP(EA), eV:	-8.74(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(dimethylamino)cyclohexyl]methylamino]-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(CC(=O)N2C3=CC=C(C=C3)OC)C4=C(C=C(C=C4)Cl)Cl)SC1=O

DOS

IR

Vibrations