Geometry & MOs

Info

ID:	130593
PubChem CID:	51091425
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	327.150429
ΔH_f, kcal/mol:	55.11
Dipole, Da:	5.3
IP(EA), eV:	-9.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-tert-butylphenoxy)ethyl]-2-ethylsulfonylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)N(CC3=CC=NC=C3)C4CC4

DOS

IR

Vibrations