Geometry & MOs

Info

ID:	218789
PubChem CID:	85089973
Reduced:	ClO7C27H37 (1)
Stoich.:	AB7C27D37 (1)
Weight, g/mol:	508.173768
ΔH_f, kcal/mol:	-353.75
Dipole, Da:	6.08
IP(EA), eV:	-10.51(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(anthracen-9-ylmethyl)-6-chloro-4-cyclopropyl-4-(2-trimethylsilylethynyl)-3H-quinazolin-2-one

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CC(C4C5=CC(=O)OC5)OC(=O)CCl)O)C)C

DOS

IR

Vibrations