Geometry & MOs

Info

ID:	265026
PubChem CID:	103507254
Reduced:	S2N3O3C13H21 (1)
Stoich.:	A2B3C3D13E21 (1)
Weight, g/mol:	295.171834
ΔH_f, kcal/mol:	-143.11
Dipole, Da:	9.95
IP(EA), eV:	-8.28(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-(3,4,5-trimethylpiperazin-1-yl)thiophen-2-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1CCN(CC1C)C2=C(C(=C(S2)C(=O)N)N)S(=O)(=O)C

DOS

IR

Vibrations