Geometry & MOs

Info

ID:	323757
PubChem CID:	126676020
Reduced:	ClPN3O9C23H29 (1)
Stoich.:	ABC3D9E23F29 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-420.26
Dipole, Da:	6.3
IP(EA), eV:	-9.55(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S)-2-(ethoxymethyl)cyclopropyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OP(=O)(N[C@@H](C=C)C(=O)OC(C)C)OC[C@@H]2[C@H]([C@@H]([C@@H](O2)N3C=CC(=O)NC3=O)Cl)O

DOS

IR

Vibrations