Geometry & MOs

Info

ID:	245036
PubChem CID:	99432201
Reduced:	N2O5C24H24 (1)
Stoich.:	A2B5C24D24 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-146.31
Dipole, Da:	3.84
IP(EA), eV:	-9.38(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[(2R)-2-(3-methylphenoxy)propanoyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)[C@H]3CC(=O)N(C3)CC4=CC=CC=C4

DOS

IR

Vibrations