Geometry & MOs

Info

ID:	143934
PubChem CID:	53283965
Reduced:	NSO3C22H23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	347.128821
ΔH_f, kcal/mol:	-52.84
Dipole, Da:	5.19
IP(EA), eV:	-9.03(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCCOC2=CC=C(C=C2)C(=O)NCCCC3=CC=CO3

DOS

IR

Vibrations