Geometry & MOs

Info

ID:	245003
PubChem CID:	99432098
Reduced:	BrClN2O4H14C18 (1)
Stoich.:	ABC2D4E14F18 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-88.73
Dipole, Da:	3.28
IP(EA), eV:	-9.48(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations