Geometry & MOs

Info

ID:	265028
PubChem CID:	103507278
Reduced:	SO2N4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	308.167083
ΔH_f, kcal/mol:	-48.25
Dipole, Da:	8.94
IP(EA), eV:	-8.32(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-cyclopropyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1C)C)C2=C(C(=C(S2)C#N)N)C(=O)OC

DOS

IR

Vibrations