Geometry & MOs

Info

ID:	160762
PubChem CID:	57389710
Reduced:	SO5N6C24H32 (1)
Stoich.:	AB5C6D24E32 (1)
Weight, g/mol:	452.253589
ΔH_f, kcal/mol:	-155.58
Dipole, Da:	9.15
IP(EA), eV:	-8.89(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)CC2=C3CCN(C3=CC=C2)C(=O)CC4=NC(=O)C=C(N4)N5CCOCC5

DOS

IR

Vibrations