Geometry & MOs

Info

ID:	195729
PubChem CID:	78729003
Reduced:	ClSN3O5C16H22 (1)
Stoich.:	ABC3D5E16F22 (1)
Weight, g/mol:	342.114648
ΔH_f, kcal/mol:	-205.17
Dipole, Da:	5.62
IP(EA), eV:	-8.57(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C(CCSC)NC(=O)N

DOS

IR

Vibrations