Geometry & MOs

Info

ID:	252074
PubChem CID:	103108870
Reduced:	SN3O3C13H27 (1)
Stoich.:	AB3C3D13E27 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	-145.4
Dipole, Da:	5.78
IP(EA), eV:	-9.21(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1CCCN(C1)S(=O)(=O)C

DOS

IR

Vibrations