Geometry & MOs

Info

ID:	285544
PubChem CID:	104111218
Reduced:	ClNSO2F3C12H15 (1)
Stoich.:	ABCD2E3F12G15 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	-251.12
Dipole, Da:	4.77
IP(EA), eV:	-10.42(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-aminopentan-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CC(C)Cl)NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

DOS

IR

Vibrations