Geometry & MOs

Info

ID:	417146
PubChem CID:	135091455
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	312.125612
ΔH_f, kcal/mol:	-29.93
Dipole, Da:	5.81
IP(EA), eV:	-8.75(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)CC(=O)N2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3)C

DOS

IR

Vibrations