Geometry & MOs

Info

ID:	160761
PubChem CID:	57389709
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	516.215489
ΔH_f, kcal/mol:	-79.02
Dipole, Da:	6.71
IP(EA), eV:	-9.06(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(C1)N(C3=CC=CC=C23)C(=O)CC4=NC(=O)C=C(N4)N5CCOCC5

DOS

IR

Vibrations