Geometry & MOs

Info

ID:	245006
PubChem CID:	99432101
Reduced:	N2O7C27H30 (1)
Stoich.:	A2B7C27D30 (1)
Weight, g/mol:	409.152537
ΔH_f, kcal/mol:	-233.69
Dipole, Da:	6.88
IP(EA), eV:	-9.01(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3CCN(CC3)C(=O)C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations