Geometry & MOs

Info

ID:	63406
PubChem CID:	26758259
Reduced:	ClN2O6H19C21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	380.137222
ΔH_f, kcal/mol:	-206.48
Dipole, Da:	4.23
IP(EA), eV:	-8.9(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations