Geometry & MOs

Info

ID:	235363
PubChem CID:	92309633
Reduced:	ClN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	408.168522
ΔH_f, kcal/mol:	-87.85
Dipole, Da:	7.14
IP(EA), eV:	-8.69(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[3-oxo-2-[[(2R)-oxolan-2-yl]methyl]-1H-isoindole-4-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2CC3=C(C2=O)C(=CC=C3)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations