Geometry & MOs

Info

ID:	298468
PubChem CID:	117650036
Reduced:	ClSF2O4N6C27H27 (1)
Stoich.:	ABC2D4E6F27G27 (1)
Weight, g/mol:	746.425465
ΔH_f, kcal/mol:	-150.42
Dipole, Da:	6.36
IP(EA), eV:	-8.34(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[3-[3,5-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]carbazol-9-yl]propyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(C=C4)N)C5=C(C=CC(=C5F)NS(=O)(=O)CCCF)Cl

DOS

IR

Vibrations