Geometry & MOs

Info

ID:	238601
PubChem CID:	92763357
Reduced:	OSN2C6H12 (2)
Stoich.:	ABC2D6E12 (2)
Weight, g/mol:	470.264154
ΔH_f, kcal/mol:	-66.14
Dipole, Da:	10.41
IP(EA), eV:	-8.62(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6R,8R,12R)-4,10-bis[(4-methylpiperazin-1-yl)methyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone

Drug info:

PubChemData

Smile

C=CCNC(=S)NCCNCCN[C@H]1CCS(=O)(=O)C1

DOS

IR

Vibrations