Geometry & MOs

Info

ID:	237944
PubChem CID:	92722927
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	422.130028
ΔH_f, kcal/mol:	-124.82
Dipole, Da:	3.17
IP(EA), eV:	-8.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(3,5-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)C[C@@H](C2=CC=C(C=C2)F)N3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations