Geometry & MOs

Info

ID:	157782
PubChem CID:	56437179
Reduced:	S2N3O6C21H25 (1)
Stoich.:	A2B3C6D21E25 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-150.65
Dipole, Da:	6.29
IP(EA), eV:	-8.93(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenoxy)-N-[cyano-(3,4,5-trimethoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C#N)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations