Geometry & MOs

Info

ID:	273715
PubChem CID:	103799369
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	301.108086
ΔH_f, kcal/mol:	-123.2
Dipole, Da:	0.38
IP(EA), eV:	-8.66(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)CCSC1=CC=CC=C1

DOS

IR

Vibrations