Geometry & MOs

Info

ID:	223495
PubChem CID:	85335124
Reduced:	SO4N5C17H19 (1)
Stoich.:	AB4C5D17E19 (1)
Weight, g/mol:	389.115775
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	3.86
IP(EA), eV:	-9.07(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=CC(=C3)C=CC(=O)NO

DOS

IR

Vibrations