Geometry & MOs

Info

ID:	63736
PubChem CID:	26759067
Reduced:	SN2O5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	357.157623
ΔH_f, kcal/mol:	-150.8
Dipole, Da:	10.71
IP(EA), eV:	-9.12(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3=COC4=C3C=C5CCCC5=C4

DOS

IR

Vibrations