Geometry & MOs

Info

ID:	36650
PubChem CID:	8010314
Reduced:	O2S2N3C15H19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	371.136887
ΔH_f, kcal/mol:	-26.66
Dipole, Da:	4.32
IP(EA), eV:	-8.54(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)CSC1=NN=C(S1)NC2=CC=CC(=C2)C

DOS

IR

Vibrations