Geometry & MOs

Info

ID:	245014
PubChem CID:	99432139
Reduced:	SN2O6C23H26 (1)
Stoich.:	AB2C6D23E26 (1)
Weight, g/mol:	440.1139
ΔH_f, kcal/mol:	-196.29
Dipole, Da:	6.08
IP(EA), eV:	-9.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)CN(C)S(=O)(=O)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations