Geometry & MOs

Info

ID:	130566
PubChem CID:	51091296
Reduced:	SN2O3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	319.153206
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	2.11
IP(EA), eV:	-8.52(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzoate

Drug info:

PubChemData

Smile

COCCCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)N1

DOS

IR

Vibrations