Geometry & MOs

Info

ID:

446402

PubChem CID:

135274712

Reduced:

F4N17O18C41H60 (2)

Stoich.:

A4B17C18D41E60 (2)

Weight, g/mol:

653.283098

ΔHf, kcal/mol:

-939.12

Dipole, Da:

5.52

IP(EA), eV:

 -9.07(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-15,15-dimethyl-11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene

Drug info:

PubChemData

Smile

CC(CN(CCN(CC(C)OC(=O)C(CCCCNC(=O)OCC1=CN(N=N1)OOF)NC(=O)OCC2=CN(N=N2)OOF)CC(C)OC(=O)C(CCCCNC(=O)OCC3=CN(N=N3)OOF)NC(=O)OCC4=CN(N=N4)OOF)CC(C)OC(=O)C(CCCCNC(=O)OCC5=CN(N=N5)CCOCF)NC(=O)OCC6=CN(N=N6)CCOCF)OC(=O)C(CCCCNC(=O)OCC7=CN(N=N7)CCOCF)NC(=O)OCC8=CN(N=N8)CCOCF

DOS

IR

Vibrations