Geometry & MOs

Info

ID:	63389
PubChem CID:	26758226
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	412.127051
ΔH_f, kcal/mol:	-57.1
Dipole, Da:	7.89
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations