Geometry & MOs

Info

ID:	313835
PubChem CID:	126618199
Reduced:	SN3O5H15C17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	344.057926
ΔH_f, kcal/mol:	-76.89
Dipole, Da:	5.95
IP(EA), eV:	-9.42(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-hydroxy-3-(3-pyrrolo[2,3-d]pyrimidin-7-ylsulfonylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC(=CN=C32)/C=C/C(=O)NO

DOS

IR

Vibrations