Geometry & MOs

Info

ID:	28963
PubChem CID:	830893
Reduced:	NO2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-90.47
Dipole, Da:	4.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756297
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-3,3-dimethylbutanoate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@H]2CC[C@@H]1[C@@H](CC2)[N+]3(CCCCC3)C

DOS

IR

Vibrations