Geometry & MOs

Info

ID:	237958
PubChem CID:	92723104
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	428.173607
ΔH_f, kcal/mol:	-138.85
Dipole, Da:	4.49
IP(EA), eV:	-9.34(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)C[C@H](C1=CC=C(C=C1)C)N2CC3=CC=CC=C3C2=O

DOS

IR

Vibrations