Geometry & MOs

Info

ID:	74899
PubChem CID:	48422666
Reduced:	FSN2O3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	311.135528
ΔH_f, kcal/mol:	-146.24
Dipole, Da:	3.19
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCCCSC2=CC=C(C=C2)F

DOS

IR

Vibrations