Geometry & MOs

Info

ID:	155621
PubChem CID:	56366352
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-125.53
Dipole, Da:	4.0
IP(EA), eV:	-8.56(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenoxy)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)C(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations