Geometry & MOs

Info

ID:	41767
PubChem CID:	8147058
Reduced:	OSN3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	390.012886
ΔH_f, kcal/mol:	-11.05
Dipole, Da:	3.66
IP(EA), eV:	-8.51(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorobenzoyl)phenyl] 4-fluorobenzenesulfonate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@@H](C(C)C)NCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2

DOS

IR

Vibrations