Geometry & MOs

Info

ID:	233820
PubChem CID:	92098509
Reduced:	O2N7H19C20 (1)
Stoich.:	A2B7C19D20 (1)
Weight, g/mol:	408.136845
ΔH_f, kcal/mol:	75.25
Dipole, Da:	3.92
IP(EA), eV:	-9.57(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=NN(N=C2)C3=CC=CC=C3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations