Geometry & MOs

Info

ID:	299943
PubChem CID:	118043156
Reduced:	OSN2C7H12 (1)
Stoich.:	ABC2D7E12 (1)
Weight, g/mol:	443.159354
ΔH_f, kcal/mol:	-28.37
Dipole, Da:	3.55
IP(EA), eV:	-8.85(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-phenoxyphenoxy)-5-[(1R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CNC1C(C=CS1)C(=O)NC

DOS

IR

Vibrations