Geometry & MOs

Info

ID:	140145
PubChem CID:	52654300
Reduced:	FSO2N3C26H32 (1)
Stoich.:	ABC2D3E26F32 (1)
Weight, g/mol:	292.195092
ΔH_f, kcal/mol:	-97.21
Dipole, Da:	7.7
IP(EA), eV:	-8.67(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]butanamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)F

DOS

IR

Vibrations