Geometry & MOs

Info

ID:	152099
PubChem CID:	56310956
Reduced:	BrNO2S2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	369.172228
ΔH_f, kcal/mol:	-24.67
Dipole, Da:	4.61
IP(EA), eV:	-9.5(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-phenylbutylsulfamoyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(CCNS(=O)(=O)C1=CC=C(S1)Br)C2=CC=CC=C2

DOS

IR

Vibrations