Geometry & MOs

Info

ID:	54351
PubChem CID:	17089811
Reduced:	ClSO3N7C22H24 (1)
Stoich.:	ABC3D7E22F24 (1)
Weight, g/mol:	353.199094
ΔH_f, kcal/mol:	-45.03
Dipole, Da:	6.0
IP(EA), eV:	-8.85(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC(=NCCC2=CC=C(C=C2)S(=O)(=O)N)NC(=O)NC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations