Geometry & MOs

Info

ID:	265064
PubChem CID:	103509115
Reduced:	S2N3O3C13H21 (1)
Stoich.:	A2B3C3D13E21 (1)
Weight, g/mol:	314.123504
ΔH_f, kcal/mol:	-143.32
Dipole, Da:	8.91
IP(EA), eV:	-8.4(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-methylsulfanyl-5-(4-propan-2-ylpiperazin-1-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN(C1)C2=C(C(=C(S2)C(=O)N)N)S(=O)(=O)C

DOS

IR

Vibrations