Geometry & MOs

Info

ID:	138989
PubChem CID:	52455614
Reduced:	SN3O5C23H33 (1)
Stoich.:	AB3C5D23E33 (1)
Weight, g/mol:	405.254003
ΔH_f, kcal/mol:	-170.44
Dipole, Da:	8.26
IP(EA), eV:	-8.6(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylcyclohexyl)-2-(4-oxo-1-propyl-5a,6,7,8,9,9a-hexahydro-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)[C@@H](C)NC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)OCCC

DOS

IR

Vibrations