Geometry & MOs

Info

ID:	128423
PubChem CID:	51043369
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	-27.98
Dipole, Da:	6.65
IP(EA), eV:	-9.35(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpiperazin-1-yl)-4-(3-morpholin-4-ylpropylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CN1C(=O)C=CC(=N1)C2=CC=CS2

DOS

IR

Vibrations