Geometry & MOs

Info

ID:	233835
PubChem CID:	92098524
Reduced:	O4N5H17C19 (1)
Stoich.:	A4B5C17D19 (1)
Weight, g/mol:	425.098017
ΔH_f, kcal/mol:	4.21
Dipole, Da:	3.66
IP(EA), eV:	-9.55(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=NOC(=C2)C3=CC=CO3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations