Geometry & MOs

Info

ID:	30127
PubChem CID:	840200
Reduced:	N2Cl3O3C11H13 (1)
Stoich.:	A2B3C3D11E13 (1)
Weight, g/mol:	307.105587
ΔH_f, kcal/mol:	-103.6
Dipole, Da:	3.6
IP(EA), eV:	-9.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[(2R)-oxolane-2-carbonyl]amino]benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

C1COCCN1[C@@H](C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2

DOS

IR

Vibrations