Geometry & MOs

Info

ID:	72366
PubChem CID:	48416092
Reduced:	NO5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	-194.17
Dipole, Da:	6.79
IP(EA), eV:	-8.68(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[2-(thiophene-2-carbonylamino)propanoylamino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations