Geometry & MOs

Info

ID:	72421
PubChem CID:	48416159
Reduced:	N2O6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	347.119129
ΔH_f, kcal/mol:	-148.26
Dipole, Da:	4.06
IP(EA), eV:	-8.69(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C(=O)OC

DOS

IR

Vibrations