Geometry & MOs

Info

ID:	447789
PubChem CID:	135285778
Reduced:	FNS2O4H16C21 (1)
Stoich.:	ABC2D4E16F21 (1)
Weight, g/mol:	429.03579
ΔH_f, kcal/mol:	-114.58
Dipole, Da:	10.41
IP(EA), eV:	-9.11(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(4-bromo-2-cyanophenyl)sulfonylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2=CN(C3=C2C=CC(=C3)F)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations