Geometry & MOs

Info

ID:	72394
PubChem CID:	48416125
Reduced:	NCl2O4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	375.150429
ΔH_f, kcal/mol:	-169.31
Dipole, Da:	3.89
IP(EA), eV:	-8.76(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-(3-thiophen-3-ylpropanoylamino)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2(CC2(Cl)Cl)C)C(=O)OC

DOS

IR

Vibrations