Geometry & MOs

Info

ID:	72381
PubChem CID:	48416108
Reduced:	BrN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	-135.14
Dipole, Da:	3.51
IP(EA), eV:	-8.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC(=CN2)Br)C(=O)OC

DOS

IR

Vibrations