Geometry & MOs

Info

ID:	82095
PubChem CID:	49855591
Reduced:	SN4O4H18C20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	425.115775
ΔH_f, kcal/mol:	-48.56
Dipole, Da:	4.27
IP(EA), eV:	-9.51(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-[(1S,5R)-6-(naphthalen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)CN1C5=NC=C(C=N5)C(=O)O

DOS

IR

Vibrations