Geometry & MOs

Info

ID:	133748
PubChem CID:	51585977
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-49.73
Dipole, Da:	7.28
IP(EA), eV:	-9.03(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@@H]2CCCN2S(=O)(=O)C3=C(N(N=C3)C)C)C

DOS

IR

Vibrations