Geometry & MOs

Info

ID:	265047
PubChem CID:	103508045
Reduced:	OS2N4C13H22 (1)
Stoich.:	AB2C4D13E22 (1)
Weight, g/mol:	292.135782
ΔH_f, kcal/mol:	-40.0
Dipole, Da:	3.47
IP(EA), eV:	-8.27(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-cyano-2-[(4,4-dimethylcyclohexyl)amino]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(C(=C(S1)NC2CCN(C2)C)SC)N

DOS

IR

Vibrations