Geometry & MOs

Info

ID:	154463
PubChem CID:	56313906
Reduced:	OSF2N3C23H23 (1)
Stoich.:	ABC2D3E23F23 (1)
Weight, g/mol:	421.203528
ΔH_f, kcal/mol:	-60.4
Dipole, Da:	3.45
IP(EA), eV:	-9.05(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1,4-dimethylcyclohexyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations