Geometry & MOs

Info

ID:	123241
PubChem CID:	50839099
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	427.142191
ΔH_f, kcal/mol:	-6.87
Dipole, Da:	6.97
IP(EA), eV:	-9.03(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-4-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCN1CCCC1CNS(=O)(=O)C2=CC=CC(=C2)C3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations