Geometry & MOs

Info

ID:	36929
PubChem CID:	8014934
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	415.126717
ΔH_f, kcal/mol:	-138.54
Dipole, Da:	6.32
IP(EA), eV:	-8.8(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[2-(2-ethoxybenzoyl)oxyacetyl]amino]benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)O[C@@H](C)C(=O)NC2=CC(=CC=C2)OC

DOS

IR

Vibrations