Geometry & MOs

Info

ID:	233823
PubChem CID:	92098512
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	405.125946
ΔH_f, kcal/mol:	24.14
Dipole, Da:	4.43
IP(EA), eV:	-8.7(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)CN2C=CC3=CC=CC=C32)OC4=NC=CN=C4C#N

DOS

IR

Vibrations