Geometry & MOs

Info

ID:	141713
PubChem CID:	52920619
Reduced:	NSO6C16H21 (1)
Stoich.:	ABC6D16E21 (1)
Weight, g/mol:	367.178358
ΔH_f, kcal/mol:	-219.02
Dipole, Da:	6.26
IP(EA), eV:	-9.63(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC=O)C[C@H]2[C@@H](OC(O2)(C)C)C=O

DOS

IR

Vibrations