Geometry & MOs

Info

ID:	245021
PubChem CID:	99432149
Reduced:	SN2F3O5H19C23 (1)
Stoich.:	AB2C3D5E19F23 (1)
Weight, g/mol:	441.1536
ΔH_f, kcal/mol:	-306.89
Dipole, Da:	2.68
IP(EA), eV:	-9.22(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[4-(2-methoxyethylamino)-3-nitrobenzoyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C[C@H]3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F

DOS

IR

Vibrations