Geometry & MOs

Info

ID:	60994
PubChem CID:	26703973
Reduced:	SN3O5H19C23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	423.08735
ΔH_f, kcal/mol:	-59.96
Dipole, Da:	5.88
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methoxybenzoyl)amino]phenyl] (2S)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC(=O)CCC3=NC(=NO3)C4=CSC=C4

DOS

IR

Vibrations