Geometry & MOs

Info

ID:	317522
PubChem CID:	126642582
Reduced:	FCl2O2N4C26H27 (1)
Stoich.:	AB2C2D4E26F27 (1)
Weight, g/mol:	407.099143
ΔH_f, kcal/mol:	-90.88
Dipole, Da:	9.97
IP(EA), eV:	-9.84(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-anthracen-9-ylethylcarbamoyl)benzenesulfonyl fluoride

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)C2=NC(=O)N=C(N2)C3=C(C=CC(=C3)CNC(=O)C4(CCCC4)CF)Cl)Cl

DOS

IR

Vibrations