Geometry & MOs

Info

ID:	68883
PubChem CID:	46511199
Reduced:	ClFSN4O4H14C20 (1)
Stoich.:	ABCD4E4F14G20 (1)
Weight, g/mol:	437.144299
ΔH_f, kcal/mol:	-48.84
Dipole, Da:	1.35
IP(EA), eV:	-9.36(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)Cl)F

DOS

IR

Vibrations