Geometry & MOs

Info

ID:	63920
PubChem CID:	26759477
Reduced:	NO3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	444.153266
ΔH_f, kcal/mol:	-260.6
Dipole, Da:	4.04
IP(EA), eV:	-8.44(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)CC1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations