Geometry & MOs

Info

ID:	33836
PubChem CID:	7888370
Reduced:	O2S2N4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	404.093913
ΔH_f, kcal/mol:	-30.21
Dipole, Da:	1.49
IP(EA), eV:	-9.09(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CCCNC(=O)NC(=O)CSC1=NC(=NC2=C1C=C(S2)C3=CC=CC=C3)C

DOS

IR

Vibrations