Geometry & MOs

Info

ID:	342911
PubChem CID:	127266074
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	320.119464
ΔH_f, kcal/mol:	-111.08
Dipole, Da:	3.48
IP(EA), eV:	-8.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxy-6-methylsulfanylphenyl)propanamide

Drug info:

PubChemData

Smile

COCCCCC(=O)NC1=C(C=CC=C1SC)OC

DOS

IR

Vibrations