Geometry & MOs

Info

ID:	82393
PubChem CID:	49855975
Reduced:	ClO6C14H14 (2)
Stoich.:	AB6C14D14 (2)
Weight, g/mol:	339.133139
ΔH_f, kcal/mol:	-505.19
Dipole, Da:	8.38
IP(EA), eV:	-9.29(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-6-benzamido-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC2=CC(=C(C(=C2)Cl)C3=CC=C(C=C3)C(=O)OC)Cl)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations