Geometry & MOs

Info

ID:

160785

PubChem CID:

57389772

Reduced:

FSN4O9C30H31 (1)

Stoich.:

ABC4D9E30F31 (1)

Weight, g/mol:

466.269239

ΔHf, kcal/mol:

-290.4

Dipole, Da:

3.72

IP(EA), eV:

 -9.56(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(CC2)(C4=NC(C(=O)C(=O)N4C3)C(=O)NCC5=CC(=C(C=C5)F)C)NC(=O)C(=O)O

DOS

IR

Vibrations