Geometry & MOs

Info

ID:	245004
PubChem CID:	99432099
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-125.05
Dipole, Da:	3.16
IP(EA), eV:	-9.56(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[3-(propanoylamino)benzoyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CCCC(=O)NCC2=C(OC3=CC=CC=C32)C(=O)OCC

DOS

IR

Vibrations