Geometry & MOs

Info

ID:	139231
PubChem CID:	52494784
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	327.137853
ΔH_f, kcal/mol:	23.94
Dipole, Da:	3.71
IP(EA), eV:	-8.35(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations