Geometry & MOs

Info

ID:	43781
PubChem CID:	10321783
Reduced:	NO5H25C28 (1)
Stoich.:	AB5C25D28 (1)
Weight, g/mol:	455.163868
ΔH_f, kcal/mol:	-108.58
Dipole, Da:	10.02
IP(EA), eV:	-8.81(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-3-N-hydroxy-1-N,1-N-dimethylpiperazine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=C3C4=CC=CC=C4C(=O)C3=CC=C2)C(=O)OCC=C

DOS

IR

Vibrations