Geometry & MOs

Info

ID:	233836
PubChem CID:	92098525
Reduced:	O2S2N5H19C20 (1)
Stoich.:	A2B2C5D19E20 (1)
Weight, g/mol:	409.120861
ΔH_f, kcal/mol:	35.09
Dipole, Da:	3.22
IP(EA), eV:	-9.06(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]acetamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)CSC2=NC3=CC=CC=C3S2)OC4=NC=CN=C4C#N

DOS

IR

Vibrations