Geometry & MOs

Info

ID:	64031
PubChem CID:	26759715
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	446.151158
ΔH_f, kcal/mol:	-124.1
Dipole, Da:	5.92
IP(EA), eV:	-8.35(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-acetylphenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations