Geometry & MOs

Info

ID:	72499
PubChem CID:	48416241
Reduced:	N3O5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	402.179087
ΔH_f, kcal/mol:	-176.04
Dipole, Da:	1.83
IP(EA), eV:	-8.7(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)C=CC(=N1)C(=O)NCC(CC2=CC=C(C=C2)OCC)C(=O)OC

DOS

IR

Vibrations