Geometry & MOs

Info

ID:	33763
PubChem CID:	7888007
Reduced:	S2N3O3C15H17 (1)
Stoich.:	A2B3C3D15E17 (1)
Weight, g/mol:	404.093913
ΔH_f, kcal/mol:	-95.11
Dipole, Da:	3.1
IP(EA), eV:	-8.57(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)NC(=O)CSC1=NC(=NC2=C1C3=C(S2)CCC3)C

DOS

IR

Vibrations