Geometry & MOs

Info

ID:	178543
PubChem CID:	76346373
Reduced:	SO3N4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	447.171811
ΔH_f, kcal/mol:	-20.4
Dipole, Da:	3.69
IP(EA), eV:	-9.36(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[3-methyl-1-[4-(5-nitropyridin-2-yl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CCC2=NC(=O)C3C=CC=CC3=N2)C4=CSC=C4

DOS

IR

Vibrations