Geometry & MOs

Info

ID:	33802
PubChem CID:	7888192
Reduced:	ClFOS2N3H15C18 (1)
Stoich.:	ABCD2E3F15G18 (1)
Weight, g/mol:	384.148535
ΔH_f, kcal/mol:	-28.24
Dipole, Da:	0.64
IP(EA), eV:	-8.65(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations