Geometry & MOs

Info

ID:	145609
PubChem CID:	53556121
Reduced:	FSO2N3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	348.241293
ΔH_f, kcal/mol:	-52.28
Dipole, Da:	2.74
IP(EA), eV:	-8.43(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(methoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide

Drug info:

PubChemData

Smile

CC1C2=C(CCN1S(=O)(=O)C3=CN=CC(=C3)F)C4=CC=CC=C4N2

DOS

IR

Vibrations