Geometry & MOs

Info

ID:	153783
PubChem CID:	56313094
Reduced:	S2O3N4C24H28 (1)
Stoich.:	A2B3C4D24E28 (1)
Weight, g/mol:	419.133734
ΔH_f, kcal/mol:	-52.63
Dipole, Da:	8.98
IP(EA), eV:	-8.22(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(4-methylphenyl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCC3=CN=C(C=C3)N4CCCCCC4

DOS

IR

Vibrations