Geometry & MOs

Info

ID:	170937
PubChem CID:	75303934
Reduced:	FON6C21H23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	632.202874
ΔH_f, kcal/mol:	31.43
Dipole, Da:	4.91
IP(EA), eV:	-8.68(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylpiperazin-1-yl)-N-hydroxy-3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]phenyl]sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CC1=NNC(=O)C1=CC2=C(C=CC(=C2)C3=CN=CC(=N3)N4CCCN(CC4)C)F

DOS

IR

Vibrations