Geometry & MOs

Info

ID:	420211
PubChem CID:	135111840
Reduced:	NSO5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	365.150619
ΔH_f, kcal/mol:	-208.11
Dipole, Da:	5.32
IP(EA), eV:	-9.02(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)CCS(=O)(=O)C)OCC2

DOS

IR

Vibrations