Geometry & MOs

Info

ID:	196286
PubChem CID:	78804699
Reduced:	SO2Cl3N6H11C14 (1)
Stoich.:	AB2C3D6E11F14 (1)
Weight, g/mol:	281.179107
ΔH_f, kcal/mol:	30.01
Dipole, Da:	3.31
IP(EA), eV:	-9.35(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-butoxypropyl)-3-(4-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1Cl)Cl)Cl)SC2=NN=C(O2)CN3C=NC=N3

DOS

IR

Vibrations