Geometry & MOs

Info

ID:	245009
PubChem CID:	99432118
Reduced:	SN4O4H18C21 (1)
Stoich.:	AB4C4D18E21 (1)
Weight, g/mol:	391.116821
ΔH_f, kcal/mol:	-44.8
Dipole, Da:	1.51
IP(EA), eV:	-9.25(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3=C(N=C(S3)C4=NC=CC=N4)C

DOS

IR

Vibrations