Geometry & MOs

Info

ID:	72447
PubChem CID:	48416185
Reduced:	NO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	389.16608
ΔH_f, kcal/mol:	-219.32
Dipole, Da:	3.51
IP(EA), eV:	-8.67(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CC2=CC3=C(C=C2)OCCO3)C(=O)OC

DOS

IR

Vibrations