Geometry & MOs

Info

ID:	200475
PubChem CID:	79394322
Reduced:	ClSN3O3C11H14 (1)
Stoich.:	ABC3D3E11F14 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-78.31
Dipole, Da:	3.13
IP(EA), eV:	-9.73(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyanocyclohexyl)amino]-N-cyclopropylbutanamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCNS(=O)(=O)C2=C(C=CN=C2)Cl

DOS

IR

Vibrations