Geometry & MOs

Info

ID:	61128
PubChem CID:	26705920
Reduced:	NO5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	331.061136
ΔH_f, kcal/mol:	-147.22
Dipole, Da:	3.07
IP(EA), eV:	-9.08(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)/C=C/C(=O)NC2=CC=CC(=C2)C(=O)OC)OC

DOS

IR

Vibrations