Geometry & MOs

Info

ID:	133120
PubChem CID:	51479535
Reduced:	N2O7C24H26 (1)
Stoich.:	A2B7C24D26 (1)
Weight, g/mol:	358.080101
ΔH_f, kcal/mol:	-251.01
Dipole, Da:	4.06
IP(EA), eV:	-8.92(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=C(C=C2)OC)COC(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations