Geometry & MOs

Info

ID:	155851
PubChem CID:	56367862
Reduced:	SO2N4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	400.191069
ΔH_f, kcal/mol:	-9.3
Dipole, Da:	4.17
IP(EA), eV:	-7.9(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[3-methyl-1-oxo-1-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)NCCC(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations