Geometry & MOs

Info

ID:	155694
PubChem CID:	56366953
Reduced:	O2F3N7C20H22 (1)
Stoich.:	A2B3C7D20E22 (1)
Weight, g/mol:	473.17329
ΔH_f, kcal/mol:	-153.21
Dipole, Da:	12.5
IP(EA), eV:	-10.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CCC(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations