Geometry & MOs

Info

ID:	61837
PubChem CID:	26713825
Reduced:	SN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	371.16452
ΔH_f, kcal/mol:	-52.61
Dipole, Da:	1.25
IP(EA), eV:	-8.92(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)/C=C/C(=O)NCC(=O)NC2=C(C=C(C=C2C)C)C

DOS

IR

Vibrations