Geometry & MOs

Info

ID:	266475
PubChem CID:	103567318
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-95.41
Dipole, Da:	3.27
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-(3-carbamothioyl-5-methoxyphenoxy)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=S)N)OCC2CCCO2

DOS

IR

Vibrations