Geometry & MOs

Info

ID:	154840
PubChem CID:	56314382
Reduced:	N3S3O4C22H23 (1)
Stoich.:	A3B3C4D22E23 (1)
Weight, g/mol:	449.180684
ΔH_f, kcal/mol:	-89.08
Dipole, Da:	5.0
IP(EA), eV:	-8.39(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3,3-dimethylbutyl)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)N3CCN(CC3)C(=O)C4=CC=C(S4)C

DOS

IR

Vibrations