Geometry & MOs

Info

ID:	36901
PubChem CID:	8014472
Reduced:	SN2O5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	411.131802
ΔH_f, kcal/mol:	-227.5
Dipole, Da:	3.87
IP(EA), eV:	-8.69(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

DOS

IR

Vibrations