Geometry & MOs

Info

ID:	233869
PubChem CID:	92098558
Reduced:	O3N6H20C21 (1)
Stoich.:	A3B6C20D21 (1)
Weight, g/mol:	452.16306
ΔH_f, kcal/mol:	-16.53
Dipole, Da:	7.9
IP(EA), eV:	-9.58(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)CN2C=NC3=CC=CC=C3C2=O)OC4=NC=CN=C4C#N

DOS

IR

Vibrations