Geometry & MOs

Info

ID:	223494
PubChem CID:	85335123
Reduced:	ClSN4O4C15H21 (1)
Stoich.:	ABC4D4E15F21 (1)
Weight, g/mol:	389.115775
ΔH_f, kcal/mol:	-59.99
Dipole, Da:	7.48
IP(EA), eV:	-8.9(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCC(N1CC(CNS(=O)(=O)C2=C(C=CC3=NON=C32)Cl)O)C

DOS

IR

Vibrations