Geometry & MOs

Info

ID:	69052
PubChem CID:	46516672
Reduced:	SF3N4O4H15C21 (1)
Stoich.:	AB3C4D4E15F21 (1)
Weight, g/mol:	443.202048
ΔH_f, kcal/mol:	-205.51
Dipole, Da:	8.1
IP(EA), eV:	-9.22(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[3-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)OCC4=NC(=NO4)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations