Geometry & MOs

Info

ID:	265065
PubChem CID:	103509125
Reduced:	OS2N4C13H22 (1)
Stoich.:	AB2C4D13E22 (1)
Weight, g/mol:	293.131031
ΔH_f, kcal/mol:	-39.0
Dipole, Da:	6.26
IP(EA), eV:	-8.14(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=C(C(=C(S2)C(=O)N)N)SC

DOS

IR

Vibrations