Geometry & MOs

Info

ID:	369685
PubChem CID:	127335017
Reduced:	O4N5C16H21 (1)
Stoich.:	A4B5C16D21 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-145.69
Dipole, Da:	3.13
IP(EA), eV:	-9.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-[[4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations