Geometry & MOs

Info

ID:	36692
PubChem CID:	8011283
Reduced:	NO5H23C24 (1)
Stoich.:	AB5C23D24 (1)
Weight, g/mol:	310.116486
ΔH_f, kcal/mol:	-137.75
Dipole, Da:	4.45
IP(EA), eV:	-8.82(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations