Geometry & MOs

Info

ID:	276815
PubChem CID:	103825384
Reduced:	SO2N3C14H23 (1)
Stoich.:	AB2C3D14E23 (1)
Weight, g/mol:	299.128821
ΔH_f, kcal/mol:	-92.88
Dipole, Da:	4.68
IP(EA), eV:	-8.79(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C)SC)C(=O)NCC(C)(C)CCO

DOS

IR

Vibrations