Geometry & MOs

Info

ID:	65187
PubChem CID:	29204586
Reduced:	ClS2N3O5C19H22 (1)
Stoich.:	AB2C3D5E19F22 (1)
Weight, g/mol:	495.022261
ΔH_f, kcal/mol:	-144.92
Dipole, Da:	4.45
IP(EA), eV:	-8.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]-2-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1S(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations